CAS 434-13-9 MFCD00003682-(3α,5β)-3-Hydroxycholan-24-oic acid 3α-羟基-5β-胆烷酸 TAO{mole}

(3α,5β)-3-Hydroxycholan-24-oic acid 3α-羟基-5β-胆烷酸

CAS 434-13-9 MFCD00003682

化学结构图

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]3CC[C@@]21C

化学属性

Mol. Formula	C24H40O3
Mol. Weight	376.58
Melting Point	185.0 to 190.0 deg-C
Density	1.073
Refractive index	35.5 ° (C=1, EtOH)

别名和识别编码

Chemical Name	(3α,5β)-3-Hydroxycholan-24-oic acid
CAS Number	434-13-9
Synonym	######## 17-beta-(1-Methyl-3-carboxypropyl)ethiocholan-3-alpha-ol 17beta-(1-methyl- 17β-(1-Methyl-3-carboxypropyl)etiocholan-3α-ol 3α-羟基-5β-胆烷酸 3α-羟基-5β-胆甾烷-24-酸 5β-胆甾烷-24-酸-3α-醇 3-HYDROXYCHOLANIC ACID 3-Hydroxycholan-24-oic acid 3-alpha-Hydroxy-5-beta-cholanic acid 3-hydroxy-,(3alpha,5beta)-cholan-24-oicaci 3A-Hydroxy-5B-cholansäure 3ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID 3ALPHA-HYDROXY-5BETA-CHOLANIC ACID 3ALPHA-HYDROXYCHOLANIC ACID 3alpha-hydroxy-5beta-cholan-24-oicaci 3alpha-hydroxy-5beta-cholanoicacid 3α-Hy 3α-Hydro 3α-Hydroxy-5β-cholan-24-oic acid 3α-Hydroxy-5β-cholanic acid 3α-Hydroxy-5β-cholansäure 3α-hydroxycholan-24-oic acid 3α-羟基-5
MDL Number	MFCD00003682
Beilstein Registry Number	10(3)687
EC Number	207-099-1
PubChem Substance ID	9903
Merck Number	5545
Chemical Name Translation	3α-羟基-5β-胆烷酸
Reaxys-RN	3217757
Wiswesser Line Notation	L E5 B666TJ A E FY&2VQ OQ -B&AEFMO
LabNetwork Molecule ID	LN00196693
InChI	InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1

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产品应用

A cholic acid derivative as TGR5 modulator. Found in ox bile, human bile, rabbit bile, and in ox and pig gallstones.

安全信息

WGK Germany2

RTECSFZ2275000

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Safety Statements

S22 Do not breathe dust 不要吸入粉尘；
S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；

GHS Symbol

Signal word

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。
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。
P302+P350
P302+P352
P302+P352+P332+P313+P362+P364
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）。
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

H303 May be harmfully swallowed 吞食可能有害
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

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3900 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCILB* Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to
   the National Cancer Institute by Litton Bionetics, Inc.  (Bethesda, MD)
   Volume(issue)/page/year: NCI-E-C-72-3252,1973

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - mouse Embryo
DOSE/DURATION           : 5 mg/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - rat Embryo
DOSE/DURATION           : 8 ug/plate
REFERENCE :
   JJATDK JAT, Journal of Applied Toxicology.  (John Wiley & Sons Ltd., Baffins
   Lane, Chichester, W. Sussex PO19 1UD, UK)  V.1-    1981-
   Volume(issue)/page/year: 1,190,1981

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 83300 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

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            : DNA damage
TEST SYSTEM             : Rodent - mouse Cells - not otherwise specified
DOSE/DURATION           : 2500 umol/L
REFERENCE :
   CBINA8 Chemico-Biological Interactions.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1969-  Volume(issue)/page/year:
   52,311,1985

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 75 umol/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   24,181,1994

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 8800 mg/kg
SEX/DURATION            : female 0-21 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
   Reproductive - Effects on Newborn - physical
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: 43,355,1991

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 16 gm/kg
SEX/DURATION            : female 0-19 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - extra-embryonic structures
   (e.g., placenta, umbilical cord)
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
   Reproductive - Specific Developmental Abnormalities - hepatobiliary system
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: 43,355,1991

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 30160 ug/kg
SEX/DURATION            : female 12-19 day(s) after conception
TOXIC EFFECTS :
   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

TYPE OF TEST            : TDLo - Low

其他信息

Sigma Aldrich:434-13-9(sigmaaldrich)
TCI Shanghai:石胆酸 Lithocholic Acid,>;97.0%(GC)(T)(434-13-9)
石胆酸价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 69015080 石胆酸;3-羟基胆基酸;石胆甾酸;胆石酸 10g 107.8元 2011/08/23 SL625001 石胆酸;3-羟基胆基酸;石胆甾酸;胆石酸 10g 605元 2011/04/16 L0089 石胆酸 Lithocholic Acid 5G 495元
Acros Organics:石胆酸 Lithocholic acid, 98%(434-13-9)
外观性质:胆汁酸之一。不是由胆甾醇在肝中直接生物合成的，而是由鹅脱氧胆酸在肠内通过细菌代谢产生的物质。在肠内生成的这种物质大部分与粪便一起排出，极少一部分被吸收，在肝中发生结合反应，以牛磺石胆酸（taurolithocholic acid）或甘氨石胆酸（glyclithocholic acid）形态出现于胆汁中。比其它胆汁酸毒性强，大量饲实验动物能引起肝胆道系统的种种障害。熔点: 183-188 °C
MOL 文件:434-13-9.mol
图谱信息:石胆酸(434-13-9)质谱(MS) 石胆酸(434-13-9)红外图谱(IR2) 石胆酸(434-13-9)红外图谱(IR1) 石胆酸(434-13-9)核磁图( 13 CNMR)
胆汁酸之一。不是由胆甾醇在肝中直接生物合成的，而是由鹅脱氧胆酸在肠内通过细菌代谢产生的物质。在肠内生成的这种物质大部分与粪便一起排出，极少一部分被吸收，在肝中发生结合反应，以牛磺石胆酸（taurolithocholic acid）或甘氨石胆酸（glyclithocholic acid）形态出现于胆汁中。比其它胆汁酸毒性强，大量饲实验动物能引起肝胆道系统的种种障害。