라타노프로스트관련화합물E

Latanoprost acid

HCID 6441636

노트 반응

데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 41639-83-2
표준 SMILES: O=C(O)CCC/C=C\C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O
InChIKey: HNPFPERDNWXAGS-NFVOFSAMSA-N
분자식: C23H34O5
평균 분자량: 390.5 g/mol
단동위원소 질량: 390.24062419

개요

Latanoprost free acid is a prostaglandin Falpha that is an analogue of prostaglandin F2alpha in which the pentyl group has been replaced by 2-phenylethyl and where the the 13,14-double bond has undergone formal hydrogenation. Its isopropyl ester prodrug, latanoprost, is used in the treatment of open-angle glaucoma and ocular hypertension. It has a role as an EC 4.2.1.1 (carbonic anhydrase) inhibitor, an antihypertensive agent and an antiglaucoma drug. It is a hydroxy monocarboxylic acid and a prostaglandins Falpha.

이름 및 식별자

우선 이름: Latanoprost acid
IUPAC: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid
현지명: 라타노프로스트관련화합물E
영어명: Latanoprost acid
분자식: C23H34O5
분자량: 390.51

이름 및 동의어

Latanoprost acid(5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl}hept-5-enoic acidLATANOPROST IMPURITY H [EP IMPURITY](5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid13,14-DIHYDRO-17-PHENYL TRINOR PGF2.ALPHA.5-HEPTENOIC ACID, 7-((1R,2R,3R,5S)-3,5-DIHYDROXY-2-((3R)-3-HYDROXY-5-PHENYLPENTYL)CYCLOPENTYL)-, (5Z)-LATANOPROST IMPURITY H (EP IMPURITY)(5Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((3R)-3-hydroxy-5-phenylpentyl)cyclopentyl)hept-5-enoic acidRefChem:79853213,14-DIHYDRO-17-PHENYL TRINOR PGF2ALPHA682-021-041639-83-2

이름 더 보기

라타노프로스트관련화합물E(5Z)-LAT-FALT-AcidlatanoprostfreeaciLatanoprost acid 95%LATANOPROST (FREE ACID)Latanoprost Impurity 23

Phxa 85LatanoprostacidPhxa-85latanoprost-free acid(Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((R)-3-hydroxy-5-phenylpentyl)cyclopentyl)hept-5-enoic acidMFCD08056084latanoprost free acidLatanoprost impurity H CRS

데이터베이스 식별자

CAS: 41639-83-2
PubChem CID: 6441636
DTXSID: DTXSID6040531
ChEMBL: CHEMBL1050
ChEBI: CHEBI:63925
UNII: EJ85341990
EC Number: 682-021-0
Nikkaji: J808.609E

물성

구조 계산 물성보충 중

XLogP: 3.1
극성 표면적: 98 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 5
회전 가능 결합 수: 12
무거운 원자 수: 28
형식 전하: 0
복잡도: 472

물리화학적 성질

끓는 점: 609.1 · 609.1±50.0 °C(Predicted)
밀도: 1.159 · 1.159±0.06 g/cm3(Predicted)
저장 조건: -20 °C · -20°C
용해도: DMSO: 자유롭게 용해됨
물리적 상태: 기름
산도 계수 (pKa): 4.76 · 4.76±0.10(Predicted)
색상: 연한 노란색, 오일
안정성: 흡습성
InChIKey: HNPFPERDNWXAGS-NFVOFSAMSA-N
SMILES: C(O)(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCC1=CC=CC=C1

화학적 성질

Pale Yellow Oil

안전 및 규제

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

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)

안전 데이터

wgk: 3
HS 번호: 2937500000
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

개요Latanoprost is an F-series prostaglandin (PG) analog which has been approved for use as an ocular hypotensive drug. Latanoprost is an isopropyl ester, a prodrug form which is converted to latanoprost (free acid) by endogenous esterase enzymes. The free acid form is 200 times more potent than latanoprost as an FP receptor ligand for the human recombinant FP receptor. Latanoprost is the isopropyl ester of a PGF2α analog containing an aromatic group (17-phenyl) in the ω-chain. Lat-FA is the corresponding carboxylic acid of this analog. Lat-FA is a potent FP receptor agonist with an EC50 of 3.6 nM for human FP receptors, which is twice the potency of PGF2α. The efficacy of PG analog esters for the treatment of glaucoma correlates closely with the FP receptor binding affinity of the free acid. However, Lat-FA is more irritating and less effective than the prodrug latanoprost when applied directly to the eyes of human glaucoma patients.

상·하류 제품 정보

하류 제품

Latanoprost

공급사89 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

추가 설명 · 1건

정의ChEBI: Latanoprost free acid is a prostaglandin Falpha that is an analogue of prostaglandin F2alpha in which the pentyl group has been replaced by 2-phenylethyl and where the the 13,14-double bond has undergone formal hydrogenation. Its isopropyl ester prodrug, latanoprost, is used in the treatment of open-angle glaucoma and ocular hypertension. It has a role as an antiglaucoma drug, an antihypertensive agent and an EC 4.2.1.1 (carbonic anhydrase) inhibitor. It is a prostaglandins Falpha and a hydroxy monocarboxylic acid.

화합물 노트

불러오는 중…

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 41639-83-2
표준 SMILES: O=C(O)CCC/C=C\C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O
InChIKey: HNPFPERDNWXAGS-NFVOFSAMSA-N
분자식: C23H34O5
평균 분자량: 390.5 g/mol
단동위원소 질량: 390.24062419

개요