디옥시콜산-2,2,4,4-D4산
(3alpha,5beta,12alpha)-3,12-Dihydroxy(2,2,4,4-~2~H_4_)cholan-24-oic acid
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기본 정보
- CAS
112076-61-6- 표준 SMILES
[2H]C1([2H])C[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C[C@H](O)[C@]2(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]32)C([2H])([2H])[C@@H]1O- InChIKey
KXGVEGMKQFWNSR-FCSCGBJGSA-N- 분자식
- C24H40O4
- 평균 분자량
- 396.6044 g/mol
- 단동위원소 질량
- 396.31776674
이름 및 식별자
- 우선 이름
- (3alpha,5beta,12alpha)-3,12-Dihydroxy(2,2,4,4-~2~H_4_)cholan-24-oic acid
- IUPAC
- 3alpha,12alpha-Dihydroxy(2,2,4,4-~2~H_4_)-5beta-cholan-24-oic acid
- 현지명
- 디옥시콜산-2,2,4,4-D4산
- 영어명
- Deoxycholic-2,2,4,4-d4 acid
- 분자식
- C24H40O4
- 분자량
- 392.58
이름 및 동의어
디옥시콜산-2,2,4,4-D4산Deoxycholic acid-DDeoxycholic-d4 AcidD4-Deoxycholic Acid2H4]-Deoxycholic acidDeoxycholic-2,2,4,4-d4 acidDeoxycholic acid-2,2,4,4-d4Deoxycholic Acid-D4 (Standard)Deoxycholic Acid-[d4] (Solution)Deoxycholic Acid-[d4] in MethanolDeoxycholic acid (2,2,4,4-D?, 98%)
데이터베이스 식별자
- CAS
112076-61-6- PubChem CID
- 71309027
- DTXSID
DTXSID90745736- ChEBI
CHEBI:192782- EC Number
- 693-876-4
물성
물리화학적 성질
- 녹는점
- 171 · 171-174 °C
- 인화점
- 9 ℃ · 9℃
- 저장 조건
- -20 °C · -20°C
- 용해도
- DMSO (약간 용해됨), 에탄올 (약간 용해됨,초음파처리), 메탄올 (약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- InChIKey
- KXGVEGMKQFWNSR-FCSCGBJGSA-N
- SMILES
- [H][C@@]12[C@]([C@](CC([2H])([2H])[C@@H](O)C3([2H])[2H])(C)[C@]3([H])CC2)([H])C[C@H](O)[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(O)=O
- CAS Number Unlabeled
- 83 · 83-44-3
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-36
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요Deoxycholic acid-d4 (DCA-d4) is intended for use as an internal standard for the quantification of DCA (Item Nos. 20756 | 18231) by GC- or LC-MS. DCA is a secondary bile acid that is formed via microbial transformation of cholic acid in the colon. It can be conjugated to glycine or taurine to produce glycodeoxycholic acid (GDCA; ) or taurodeoxycholic acid (TDCA; ), respectively, in hepatocytes. DCA (0.2% v/v) inhibits spore germination induced by taurocholic acid (TCA; ) in seven C. difficile strains, as well as inhibits growth and decreases the cytotoxicity of C. difficile culture supernatants to Vero cells when used at a concentration of 0.02% v/v. It inhibits ionizing radiation-induced p53-dependent transcription in a reporter assay using HCT116 cells when used at a concentration of 200 μM. Fecal and intestinal tissue levels of DCA are increased in a rat model of high-fat diet-induced obesity compared with rats fed a normal diet. Increased serum DCA levels have been found in patients with colorectal cancer.
용도Deoxycholic-2,2,4,4-d4 Acid (CAS# 112076-61-6) is a useful isotopically labeled research compound.
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