기본 정보
- CAS
493035-81-7- 표준 SMILES
Cc1cc(Cl)ccc1-c1cccc(C(O)/C=C/[C@H]2CCC(=O)N2CCCCCCC(=O)O)c1- InChIKey
LMJHPADNCZPRCN-KSPGTVSPSA-N- 분자식
- C27H32ClNO4
- 평균 분자량
- 470 g/mol
- 단동위원소 질량
- 469.2019862
이름 및 식별자
- 우선 이름
- EP4 receptor agonist 2
- IUPAC
- 7-[(2R)-2-[(E)-3-[3-(4-chloro-2-methylphenyl)phenyl]-3-hydroxyprop-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid
- 영어명
- CAY10684
- 분자식
- C27H32ClNO4
- 분자량
- 470
이름 및 동의어
493035-81-7EP4 receptor agonist 2CHEMBL2980267-[(2R)-2-[(E)-3-[3-(4-chloro-2-methylphenyl)phenyl]-3-hydroxyprop-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acidCAY10684(2R)-2-[(1E)-3-(4'-Chloro-2'-methyl[1,1'-biphenyl]-3-yl)-3-hydroxy-1-propen-1-yl]-5-oxo-1-pyrrolidineheptanoicAcidC27H32ClNO4orb2283816SCHEMBL5733175BDBM50142476HY-118609CS-0067614
이름 더 보기
(2R)-2-[(1E)-3-(4’-Chloro-2’-methyl[1,1’-biphenyl]-3-yl)-3-hydroxy-1-propen-1-yl]-5-oxo-1-pyrrolidineheptanoicAcid1-Pyrrolidineheptanoic acid, 2-[(1E)-3-(4'-chloro-2'-methyl[1,1'-biphenyl]-3-yl)-3-hydroxy-1-propen-1-yl]-5-oxo-, (2R)-
T84402(2R)-2-[(1E)-3-(4'-chloro-2'-methyl[1,1'-biphenyl]-3-yl)-3-hydroxy-1-propen-1-yl]-5-oxo-1-pyrrolidineheptanoic acid(2R)-2-[(1E)-3-(4atrade mark-Chloro-2atrade mark-methyl[1,1atrade mark-biphenyl]-3-yl)-3-hydroxy-1-propen-1-yl]-5-oxo-1-pyrrolidineheptanoic Acid7-((2R)-2-((E)-3-(4'-Chloro-2'-methyl-[1,1'-biphenyl]-3-yl)-3-hydroxyprop-1-en-1-yl)-5-oxopyrrolidin-1-yl)heptanoic acid7-[(2R)-2-[(E)-3-[3-(4-chloro-2-methyl-phenyl)phenyl]-3-hydroxy-prop-1-enyl]-5-oxo-pyrrolidin-1-yl]heptanoic acid7-{(R)-2-[(E)-3-(4''-Chloro-2''-methyl-biphenyl-3-yl)-3-hydroxy-propenyl]-5-oxo-pyrrolidin-1-yl}-heptanoic acid
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 77.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 669
물리화학적 성질
- 끓는 점
- 684.2 · 684.2±55.0 °C(Predicted)
- 밀도
- 1.238 · 1.238±0.06 g/cm3(Predicted)
- 용해도
- 30 mg/mL; · DMF: 30 mg/mL; DMSO: 17 mg/mL; Ethanol: 50 mg/mL; PBS (pH 7.2): 3 mg/mL
- 산도 계수 (pKa)
- 4.77 · 4.77±0.10(Predicted)
- 물리적 상태
- Liquid
- 색상
- Colorless to light yellow
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Danger
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H225
화학 및 산업
응용 분야
개요Prostaglandin E2 (PGE2; ) activates four E prostanoid (EP) receptors, EP1-4. EP4 is a G protein-coupled receptor that, by elevating the second messenger cAMP, plays important roles in bone formation and resorption, cancer, and atherosclerosis. CAY10684 is a lactam that acts as a potent EP4 agonist, triggering cAMP signaling with an EC50 value of 0.8 nM. It displays more than 1,000-fold selectivity for EP4 over other EP receptors.
용도(2R)-2-[(1E)-3-(4''-Chloro-2''-methyl[1,1''-biphenyl]-3-yl)-3-hydroxy-1-propen-1-yl]-5-oxo-1-pyrrolidineheptanoic Acid is an EP4 receptor agonist.
공급사6 곳
BOC Sciences16314854226; +8616314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
ChemeGen 中国18818260767 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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