기본 정보
- CAS
195733-43-8- 표준 SMILES
CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1.Cl- InChIKey
IJFUJIFSUKPWCZ-SQMFDTLJSA-N- 분자식
- C29H39ClN2O6
- 평균 분자량
- 547.1 g/mol
- 단동위원소 질량
- 546.2496647
개요
Atrasentan Hydrochloride is the orally available hydrochloride salt of pyrrolidine-3-carboxylic acid with potential antineoplastic activity. As a selective antagonist of the endothelin-A (ETA) receptor, atrasentan binds selectively to the ETA receptor, which may result in inhibition of endothelin-induced angiogenesis and tumor cell proliferation.
이름 및 식별자
- 우선 이름
- Atrasentan Hydrochloride
- IUPAC
- (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
- 영어명
- Atrasentan hydrochloride
- 분자식
- C29H38N2O6.ClH
- 분자량
- 547.08
이름 및 동의어
Atrasentan hydrochloride195733-43-8Atrasentan HClABBOT-147627E4G31X93ZAA-147627.1DTXSID20173240XinlayNSC720763RefChem:115500DTXCID7095731(2R,3R,4S)-4-(1,3-Benzodioxo-5-yl)-1-(2-(dibutylamino)-2-oxoethyl)-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic Acid Monohydrochloride
이름 더 보기
ABT627ABT 627A 147627.1Abbott 147627Unii-E4G31X93zaABT-627 hydrochlorideA-147627 hydrochloride
Atrasentan (hydrochloride)Atrasentan hydrochloride [USAN]3-Pyrrolidinecarboxylicacid,4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-,hydrochloride (1:1), (2R,3R,4S)-ABT-627(2R,3R,4S)-4-(Benzo[d][1,3]dioxol-5-yl)-1-(2-(dibutylamino)-2-oxoethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid hydrochlorideBS-16407(2R,3R,4S)-1-((Dibutylcarbamoyl)methyl)-2-(p-methoxyphenyl)-4-(3,4-(methylenedioxy)phenyl)-3-pyrrolidinecarboxylic acid, monohydrochloride(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
데이터베이스 식별자
물성
구조 계산 물성
- 극성 표면적
- 88.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 734
실험 및 물리화학적 성질
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
물리화학적 성질
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- DMSO에 용해됨
- 물리적 상태
- 가루
- 색상
- Off-white to gray
- InChIKey
- IJFUJIFSUKPWCZ-FZVADPAUNA-N
- SMILES
- C1(=CC2=C(OCO2)C=C1)[C@@H]1[C@@H](C(=O)O)[C@H](C2C=CC(OC)=CC=2)N(CC(N(CCCC)CCCC)=O)C1.Cl |&1:9,10,14,r|
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Compounds and drugs that bind to and inhibit or block the activation of ENDOTHELIN A RECECPTORS.
응용 분야
개요Atrasentan Hydrochloride is the orally available hydrochloride salt of pyrrolidine-3-carboxylic acid with potential antineoplastic activity. As a selective antagonist of the endothelin-A (ETA) receptor, atrasentan binds selectively to the ETA receptor, which may result in inhibition of endothelin-induced angiogenesis and tumor cell proliferation.
용도Atrasentan belongs to a pyrrolidine and benzodioxole derivative. It is a selective antagonist of the endothelin-A (ETA) receptor and binds selectively to the ETA receptor, which may result in the inhibition of endothelin-induced angiogenesis and tumor cell proliferation. Its potential therapeutic uses include the treatment of diabetic nephropathies and as an antineoplastic agent.
공급사93 곳
北京华美互利生物化工010-56205725 · [email protected]
天津欣康佑生物科技有限公司19922659386 · [email protected]
BEIJING SJAR TECHNOLOGY DEVELOPMENT CO., LTD.+86-18600796368 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
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