Deoxycholic acid 脱氧胆酸

CAS 83-44-3 MFCD00003673

化学结构图

83-44-3
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C

化学属性

Mol. FormulaC24H40O4
Mol. Weight392.57
Density1.422
Melting Point171-174
TSCAYes
Solubility330 G/L (15 ºC)

别名和识别编码

Chemical NameDeoxycholic acid
CAS Number83-44-3
Synonym 12beta-Isomer Deoxycholic Acid 3,12-Dihydroxycholanic acid 3-alpha,12-alpha-Dihydroxy-5-beta-cholanoic acid 3-alpha,12-alpha-Dihydroxycholanic acid 3-alpha,12-alpha-Dihydroxycholansaeure 3?,12.?-Dihydroxy-5?-cholan-24-oic Acid Monosodium Salt 3beta-Isomer Deoxycholic Acid 3α,12α-Dihydroxy-5β-cholanic acid 3α,12α-Dihydroxy-5β-cholanic acid 7-Deoxycholic acid Desoxycholic acid 5-beta-Deoxycholic acid 5alpha-Isomer Deoxycholic Acid 7-Deoxycholic acid Acid, 5alpha-Isomer Deoxycholic Acid, Choleic Acid, Deoxycholic Acid, Desoxycholic Acid, Dihydroxycholanoic Acid, Lagodeoxycholic Cholan-24-oic acid, 3,12-dihydroxy-, (3-alpha,5-beta,12-alpha)- Choleic Acid Choleic acid Cholerebic Cholic acid, deoxy- Cholorebic
MDL NumberMFCD00003673
EC Number201-478-5
Beilstein Registry Number3219882
PubChem Substance ID222528
Merck Number2899
Chemical Name Translation脱氧胆酸
Reaxys-RN3219882
Wiswesser Line NotationL E5 B666TJ A1 DQ E1 FY1&2VQ OQ
LabNetwork Molecule IDLN00195068
InChIInChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
Canonical SMILESC[C@@]1([C@@]2([H])[C@H](C)CCC(O)=O)[C@](CC2)([H])[C@@](CC[C@@]3([H])[C@@]4(CC[C@@H](O)C3)C)([H])[C@]4([H])C[C@@H]1O
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分类

  • Pharmaceuticals
  • {SNA} anionic
  • Intermediates & Fine Chemicals
  • {SNA} Anionic Detergents, Antigen-Vaccine Preparation, Bile Salts, Bile acids and Derivatives, Cell Culture, Detergents A to M, Detergents by Applications, Diagnostic Applications, Drug Delivery-Liposomes, Electrophoresis Chromatography, Membrane Protein Solubilization, Sterol Lipids, 去垢剂, 生化试剂, 脂类
  • {SNA} Anionic Detergents, Antigen-Vaccine Preparation, Bile Salts, Bile acids and Derivatives, Cell Culture, Detergents A to M, Detergents by Applications, Diagnostic Applications, Drug Delivery-Liposomes,

产品应用

  • It is used as a component in cell lysis buffers.

相关文献及参考

  • [2]. Wang X, et al. Acidified bile acids enhance tumor progression and telomerase activity of gastric cancer in micedependent on c-Myc expression. Cancer Med. 2017 Apr;6(4):788-797.
  • [1]. Somm E, et al. β-Klotho deficiency protects against obesity through a crosstalk between liver, microbiota, and brown adipose tissue. JCI Insight. 2017 Apr 20;2(8). pii: 91809.
  • [1]. Somm E, et al. β-Klotho deficiency protects against obesity through a crosstalk between liver, microbiota, and brown adipose tissue. JCI Insight. 2017 Apr 20;2(8). pii: 91809.
  • [2]. Wang X, et al. Acidified bile acids enhance tumor progression and telomerase activity of gastric cancer in micedependent on c-Myc expression. Cancer Med. 2017 Apr;6(4):788-797.

安全信息

Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312
  • P301+P312+P330
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSFZ2100000
Hazard Codes Xn 
TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1400 mg/kg/22W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   PRLBA4 Proceedings of the Royal Society of London, Series B: Biological
   Sciences.  (Royal Soc., 6 Carlton House Terrace, London SW1Y 5AG, UK) V.76- 
     1905-  Volume(issue)/page/year: 129,439,1940

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2700 mg/kg/10W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   BJCAAI British Journal of Cancer.  (Macmillan Press Ltd., Houndmills,
   Basingstoke, Hants. RG21 2XS, UK)  V.1-    1947-  Volume(issue)/page/year:
   10,363,1956

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1120 mg/kg/22W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   NATUAS Nature.  (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736)
   V.1-    1869-  Volume(issue)/page/year: 145,627,1940

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Behavioral - food intake (animal)
   Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
   NAIZAM Nara Igaku Zasshi.  Journal of the Nara Medical Association.  (Nara
   Igakkai, c/o Narakenritsu Ika Daigaku, Shijo-cho, Kashihara, Nara-ken,
   Japan)  V.1-    1950-  Volume(issue)/page/year: 33,71,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NAIZAM Nara Igaku Zasshi.  Journal of the Nara Medical Association.  (Nara
   Igakkai, c/o Narakenritsu Ika Daigaku, Shijo-cho, Kashihara, Nara-ken,
   Japan)  V.1-    1950-  Volume(issue)/page/year: 33,71,1982

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZGEMAZ Zeitschrift fuer die Gesamte Experimentelle Medizin.  (Berlin, Fed.
   Rep. Ger.)  V.1-139, 1913-65.  For publisher information, see REXMAS.
   Volume(issue)/page/year: 52,779,1926

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 130 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 2

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - hamster Embryo
DOSE/DURATION           : 7250 ug/L
REFERENCE :
   TOLED5 Toxicology Letters.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1977-  Volume(issue)/page/year: 9,177,1981

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 20 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 158,45,1985

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 2800 umol/L
REFERENCE :
   ARTODN Archives of Toxicology.  (Springer-Verlag, Heidelberger Pl. 3, D-1000
   Berlin 33, Fed. Rep. Ger.)  V.32-    1974-  Volume(issue)/page/year:
   60,192,1987

TYPE OF TEST            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 100 mg/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 5,447,1984

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 166 mg/kg
SEX/DURATION            : female 12-19 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 42,215,1990

Storage condition 2-8°C

系列性分类

  1. Application Areas 应用领域分类
  2. Detergents 去污剂洗净剂
  1. Application Areas 应用领域分类
  2. Detergents 去污剂洗净剂
  3. Anionic Detergents - Detergents
  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. D-DIF - Bioactive Small Molecules
  1. Application Areas 应用领域分类
  2. Detergents 去污剂洗净剂
  3. Detergents by Applications - Detergents
  4. Antigen-Vaccine Preparation - Detergents by Applications
  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Lipids - Biochemicals and Reagents
  4. Sterol Lipids - Lipids
  5. Bile acids and Derivatives - Sterol Lipids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyrroles 吡咯
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyrroles 吡咯
  1. Chemical Synthesis 化学合成
  2. Catalysis and Inorganic Chemistry 催化剂和无机化学
  3. Palladium Catalysis 钯催化剂
  4. Homogeneous Pd Catalysts - Palladium
  1. Life Science 生命科学
  2. Biochemistry / Glyco-Chemistry
  3. Steroids
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Lipids
  4. Sterols
  1. Medical Research Areas
  2. GPCR & G Protein
  3. GPCR19  (G蛋白偶联受体19)
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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