Esaxerenone

HCID 25052023CAS 1632006-28-0

기본 정보

표준 SMILES: Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(CCO)c1-c1ccccc1C(F)(F)F
InChIKey: NOSNHVJANRODGR-UHFFFAOYSA-N
분자식: C22H21F3N2O4S
평균 분자량: 466.5 g/mol
단동위원소 질량: 466.11741281

개요

Esaxerenone is under investigation in clinical trial NCT02722265 (Long-term Study of CS-3150 as Monotherapy or in Combination With Other Antihypertensive Drug in Japanese Patients With Essential Hypertension).

이름 및 식별자

우선 이름: Esaxerenone
IUPAC: 1-(2-hydroxyethyl)-4-methyl-N-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
영어명: Esaxerenone
분자식: C22H21F3N2O4S
분자량: 466.48

이름 및 동의어

Esaxerenone1632006-28-0CS-3150XL-550N62TGJ04A1DTXSID6013368961H-Pyrrole-3-carboxamide, 1-(2-hydroxyethyl)-4-methyl-N-(4-(methylsulfonyl)phenyl)-5-(2-(trifluoromethyl)phenyl)-, (5S)-1-(2-hydroxyethyl)-N-(4-methanesulfonylphenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamideesaxerenonaesaxerenonum1-(2-hydroxyethyl)-N-(4-methanesulfonylphenyl)-4-methyl-5-(2-(trifluoromethyl)phenyl)-1H-pyrrole-3-carboxamideRefChem:921152

이름 더 보기

cs3150CS-2614XL-550)RMA-8885G,100G,500GESAXERENONE WSEsaxerenone(CS-3150)CS-3150 (Esaxerenone

DTXCID601767198Esaxerenone [INN]1-(2-hydroxyethyl)-4-methyl-N-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide1-(2-hydroxyethyl)-4-methyl-N-(4-(methylsulfonyl)phenyl)-5-(2-(trifluoromethyl)phenyl)-1H-pyrrole-3-carboxamideMFCD31630843UNII-N62TGJ04A1CHEMBL2181932(S)-1-(2-Hydroxyethyl)-4-methyl-N-[4-(methylsulfonyl)phenyl]-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide

데이터베이스 식별자

CAS: 1632006-28-0
PubChem CID: 25052023
DTXSID: DTXSID601336896
ChEMBL: CHEMBL2181932
UNII: N62TGJ04A1
EC Number: 875-901-2
Nikkaji: J3.590.754H、J3.706.159J、J3.706.160C

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 96.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 7
회전 가능 결합 수: 6
무거운 원자 수: 32
형식 전하: 0
복잡도: 747

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Cardiovascular system -> Cardiovascular system

물리화학적 성질

끓는 점: 581.3 · 581.3±50.0 °C(Predicted)
밀도: 1.35 · 1.35±0.1 g/cm3(Predicted)
용해도: 100 · DMSO:100.0(Max Conc. mg/mL);214.37(Max Conc. mM)
산도 계수 (pKa): 12.76 · 12.76±0.70(Predicted)
물리적 상태: Solid
색상: White to light yellow
InChI: InChI=1S/C22H21F3N2O4S/c1-14-18(21(29)26-15-7-9-16(10-8-15)32(2,30)31)13-27(11-12-28)20(14)17-5-3-4-6-19(17)22(23,24)25/h3-10,13,28H,11-12H2,1-2H3,(H,26,29)
InChIKey: NOSNHVJANRODGR-UHFFFAOYSA-N
SMILES: C(N1C=C(C(=O)NC2C=CC(S(=O)(=O)C)=CC=2)C(C)=C1C1C=CC=CC=1C(F)(F)F)CO

화학 및 산업

응용 분야

용도Esaxerenone, is a novel, highly potent and selective non-steroidal mineralocorticoid receptor antagonist.

공급사50 곳

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

Shanghai Innopharm Industrial Co., Ltd.+86-21-59960785 +86-17701845089 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

연결된 노트

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