에피플라디브

Efipladib

HCID 9853499CAS 381683-94-9

기본 정보

표준 SMILES
O=C(O)c1ccc(CCCc2c(CCNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
InChIKey
HIZOPJQOPKRKFM-UHFFFAOYSA-N
분자식
C40H35Cl3N2O4S
평균 분자량
746.1 g/mol
단동위원소 질량
744.13831164

개요

structure in first source

이름 및 식별자

우선 이름
Efipladib
IUPAC
4-[3-[1-benzhydryl-5-chloro-2-[2-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]indol-3-yl]propyl]benzoic acid
현지명
에피플라디브
영어명
EFIPLADIB
분자식
C40H35Cl3N2O4S
분자량
746.14

이름 및 동의어

Efipladib381683-94-9PLA-902S97YUG2A914-(3-(5-Chloro-2-(2-(((3,4-dichlorobenzyl)sulfonyl)amino)ethyl)-1-(diphenylmethyl)-1H-indol-3-yl)propyl)benzoic acidefipladibum4-[3-[5-chloro-2-[2-[[(3,4-dichlorobenzyl)sulfonyl]amino]ethyl]-1-(diphenylmethyl)-1h-indol-3-yl]propyl]benzoic acid4-{3-[5-chloro-2-(2-{[(3,4-dichlorobenzyl)sulfonyl]amino}ethyl)-1-(diphenylmethyl)-1h-indol-3-yl]propyl}benzoic acidRefChem:136332Efipladib [USAN:INN]UNII-S97YUG2A91CHEMBL272342
이름 더 보기
에피플라디브PLA902PLA 902Efipladib (PLA 902)4-(3-(1-benzhydryl-5-chloro-2-(2-((3,4-dichlorophenyl)MethylsulfonaMido)ethyl)-1H-indol-3-yl)propyl)benzoic acidBenzoic acid, 4-[3-[5-chloro-2-[2-[[[(3,4-dichlorophenyl)methyl]sulfonyl]amino]ethyl]-1-(diphenylmethyl)-1H-indol-3-yl]propyl]-
Efipladib (USAN)EFIPLADIB [USAN]4-[3-[1-benzhydryl-5-chloro-2-[2-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]indol-3-yl]propyl]benzoic acidEfipladib [INN]4-(3-(5-Chloro-2-(2-((((3,4-dichlorophenyl)methyl)sulfonyl)amino)ethyl)-1-(diphenylmethyl)-1H-indol-3-yl)propyl)benzoic acidorb1700669SCHEMBL1500831SCHEMBL29586714

데이터베이스 식별자

CAS
381683-94-9
PubChem CID
9853499
DTXSID
DTXSID20870343
ChEMBL
CHEMBL272342
UNII
S97YUG2A91
Nikkaji
J2.856.479A

물성

구조 계산 물성

XLogP
10.4
극성 표면적
96.8 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
14
무거운 원자 수
50

물리화학적 성질

녹는점
172 °C · 172 °C
끓는 점
891.2 · 891.2±75.0 °C(Predicted)
밀도
1.32 · 1.32±0.1 g/cm3(Predicted)
산도 계수 (pKa)
4.34 · 4.34±0.10(Predicted)

화학 및 산업

응용 분야

용도Treatment of pain and symptomatic management of arthritis.

공급사5 곳

天津安浩生物科技有限公司[email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

관련 반응

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