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17-트리플루오로메틸페닐트리노르프로스타글란딘F2ALPHA

(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-[3-(trifluoromethyl)phenyl]pent-1-enyl]cyclopentyl]hept-5-enoic acid

HCID 9825293
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
221246-34-0
표준 SMILES
O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O
InChIKey
CMLNDCUXASGBMQ-NQUQXYBYSA-N
분자식
C24H31F3O5
평균 분자량
456.5 g/mol
단동위원소 질량
456.21235857

이름 및 식별자

우선 이름
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-[3-(trifluoromethyl)phenyl]pent-1-enyl]cyclopentyl]hept-5-enoic acid
IUPAC
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-[3-(trifluoromethyl)phenyl]pent-1-enyl]cyclopentyl]hept-5-enoic acid
현지명
17-트리플루오로메틸페닐트리노르프로스타글란딘F2ALPHA
영어명
17-Trifluoromethylphenyl trinor prostaglandin f2alpha
분자식
C24H31F3O5
분자량
456.5

이름 및 동의어

CHEMBL287080(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-[3-(trifluoromethyl)phenyl]pent-1-enyl]cyclopentyl]hept-5-enoic acid17-trifluoromethylphenyl trinor Prostaglandin F2|A(Z)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((S,E)-3-hydroxy-5-(3-(trifluoromethyl)phenyl)pent-1-en-1-yl)cyclopentyl)hept-5-enoic acidorb1692440SCHEMBL21924053DTXSID50849507HMS3648J22(5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-Hydroxy-5-[3-(Trifluoromethyl)Phenyl]-1-Penten-1-Yl]Cyclopentyl]-5-Heptenoic AcidBDBM50090133AKOS040756133PD021072
이름 더 보기
17-트리플루오로메틸페닐트리노르프로스타글란딘F2ALPHACMLNDCUXASGBMQ-NQUQXYBYSA-N17-trifluoromethylphenyl trinor Prostaglandin F2α17-Trifluoromethylphenyl trinor prostaglandin f2alpha9ALPHA,11ALPHA,15S-TRIHYDROXY-17-TRIFLUOROMETHYLPHENYL-18,19,20-TRINOR-PROSTA-5Z,13E-DIEN-1-OIC ACID5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-[3-(trifluoromethyl)phenyl]-1-penten-1-yl]cyclopentyl]-, (5Z)-

물성

구조 계산 물성

XLogP
3.6
극성 표면적
98 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
8
회전 가능 결합 수
11
무거운 원자 수
32
형식 전하
0
복잡도
634

물리화학적 성질

끓는 점
593 · 593.0±50.0 °C(Predicted)
밀도
1.296 · 1.296±0.06 g/cm3(Predicted)
저장 조건
-20 °C · Store at -20°C
용해도
30 mg/ml; · DMF: 30 mg/ml; DMSO: 25 mg/ml; Ethanol: 50 mg/ml; PBS (pH 7.2): 1 mg/ml
산도 계수 (pKa)
4.76 · 4.76±0.10(Predicted)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 데이터

신호 어
Danger

화학 및 산업

응용 분야 · 1건

개요A number of 17-phenyl trinor prostaglandin F2α (17-phenyl trinor PGF2α) derivatives have been approved for the treatment of glaucoma. Of these, the unsubstituted or meta-substituted aromatic derivatives are the most potent FP receptor agonists. 17-trifluoromethylphenyl trinor PGF2α bears an aromatic ring which is reminiscent of the trifluoromethyl-phenoxy ring of travoprost ((+)-fluprostenol isopropyl ester). As an ocular hypotensive agent, it would be expected that 17-trifluoromethylphenyl trinor PGF2α would act very much like the free acid of travoprost. 17-phenyl trinor PGF2α is a potent luteolytic and abortifacient, with a potency equal to or greater than fluprostenol and cloprostenol.

공급사14 곳

广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
金瓯生物医药(南京)有限公司13000000000 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
成都塞欧斯医药科技有限公司028-64971018 18108168130
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]

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화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
HY-116679CS-0066260T37946SR-0100094652117-trifluoromethylphenyl trinor Prostaglandin F2??SR-01000946521-117-trifluoromethylphenyl trinor Prostaglandin F2.alpha.(5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-{(1E,3S)-3-hydroxy-5-[3-(trifluoromethyl)phenyl]pent-1-en-1-yl}cyclopentyl]hept-5-enoic acid

데이터베이스 식별자

CAS
221246-34-0
PubChem CID
9825293
DTXSID
DTXSID101372667
ChEMBL
CHEMBL287080
Nikkaji
J1.356.485J
SHANGHAI KEAN TECHNOLOGY CO., LTD.
+8613817748580 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Henan Fengda Chemical Co., Ltd+86-371-86557731 +86-13613820652 · [email protected]