크립토피신

Cryptophycin

HCID 6438401CAS 124689-65-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
InChIKey: PSNOPSMXOBPNNV-VVCTWANISA-N
분자식: C35H43ClN2O8
평균 분자량: 655.2 g/mol
단동위원소 질량: 654.27079402

개요

cryptophycin 1 has been reported in Nostoc with data available.

이름 및 식별자

우선 이름: Cryptophycin
IUPAC: (3S,6R,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
현지명: 크립토피신
영어명: Cryptophycin
분자식: C35H43ClN2O8
분자량: 655.19

이름 및 동의어

Cryptophycin 1cryptophycin124689-65-2XO974V2M5TDTXSID90104618710-((3-Chloro-4-methoxyphenyl)methyl)-6-methyl-3-(2-methylpropyl)-16-(1-(3-phenyloxiranyl)ethyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetroneNSC667642RefChem:919231DTXCID501528058CRYPTOPHYCIN A(3S,6R,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetroneUNII-XO974V2M5T

이름 더 보기

크립토피신CS-1374Cyclo[(2R)-2-methyl-β-alanyl-(2S)-2-hydroxy-4-methylpentanoyl-(2E,5S,6S)-5-hydroxy-6-[(2R,3R)-3-phenyl-2-oxiranyl]-2-heptenoyl-3-chloro-O-methyl-D-tyrosyl]

CRYPTOPHYCIN-1CRYPTOPHYCIN-1 [MI]CHEMBL441018SCHEMBL1346966SCHEMBL29353053PSNOPSMXOBPNNV-VVCTWANISA-N1,4-Dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone, 10-((3-chloro-4-methoxyphenyl)methyl)-6-methyl-3-(2-methylpropyl)-16-(1-(3-phenyloxiranyl)ethyl)-C16877

데이터베이스 식별자

CAS: 124689-65-2
PubChem CID: 6438401
DTXSID: DTXSID901046187
ChEMBL: CHEMBL441018
UNII: XO974V2M5T

물성

구조 계산 물성

XLogP: 6.2
극성 표면적: 133 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 8
회전 가능 결합 수: 8
무거운 원자 수: 46
형식 전하: 0
복잡도: 1,080

물리화학적 성질

끓는 점: 889.4 · 889.4±65.0 °C(Predicted)
밀도: 1.171 · 1.171±0.06 g/cm3(Predicted)
산도 계수 (pKa): 12.83 · 12.83±0.70(Predicted)

안전 및 규제

안전 데이터

ridadr: 3172
포장분류: III
위험 등급: 6.1(b)

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 3건

Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.

Substances that inhibit or prevent the proliferation of NEOPLASMS.

Agents that interact with TUBULIN to inhibit or promote polymerization of MICROTUBULES.