Octreotide pamoate

HCID 44194024

기본 정보

CAS: 135467-16-2
표준 SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O
InChIKey: KFWJVABDRRDUHY-XJQYZYIXSA-N
분자식: C72H82N10O16S2
평균 분자량: 1,407.6 g/mol

개요

Octreotide Pamoate is a synthetic long-acting octapeptide analogue of endogenous somatostatin. Octreotide pamoate binds to somatostatin receptors expressed by some neuroendocrine and non-neuroendocrine tumor cells, thereby initiating somatostatin receptor-mediated apoptosis. Other possible antineoplastic activities of this agent include suppression of tumor angiogenesis and tumor growth-promoting insulin-like growth factor 1 (IGF-1). (NCI04)

이름 및 식별자

우선 이름: Octreotide pamoate
IUPAC: (4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide;4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
영어명: SMS 201-995 pa
분자식: C72H82N10O16S2
분자량: 1407.62

이름 및 동의어

Octreotide pamoateSMS paOctreotide embonateSMS-PAMWH8YQ1AIOSMS 201-995 paOctreotide pamoate [USAN]UNII-MWH8YQ1AIOSMS-201-995 PA135467-16-2OCTREOTIDE EMBONATE [WHO-DD]Octreotide pamoate (USAN)

이름 더 보기

D-PHENYLALANYL-L-CYSTEINYL-L-PHENYLALANYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-L-CYSTEINYL-L-THREONINOL CYCLIC (2->7)-DISULFIDE EMBONATE (1:1) (SALT)D-PHENYLALANYL-L-CYSTEINYL-L-PHENYLALANYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-L-CYSTEINYL-L-THREONINOL CYCLIC (2->7)-DISULFIDE PAMOATE (1:1) (SALT)D-PHENYLALANYL-L-CYSTEINYL-L-PHENYLALANYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-L-CYSTEINYL-L-THREONINOL CYCLIC (2->7)-DISULPHIDE PAMOATE (1:1) (SALT)D-PHENYLALANYL-L-CYSTEINYL-L-PHENYLALANYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-N-((1R,2R)-2-HYDROXY-1-(HYDROXYMETHYL)PROPYL)-L-CYSTEINAMIDE CYCLIC (2->7)-DISULFIDE 4,4'-METHYLENEBIS(3-HYDROXY-2-NAPHTHOATE) (1:1) (SALT)D-PHENYLALANYL-L-CYSTEINYL-L-PHENYLALANYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-N-((1R,2R)-2-HYDROXY-1-(HYDROXYMETHYL)PROPYL)-L-CYSTEINAMIDE CYCLIC (2->7)-DISULPHIDE 4,4'-METHYLENEBIS(3-HYDROXY-2-NAPHTHOATE) (1:1) (SALT)L-CYSTEINAMIDE, D-PHENYLALANYL-L-CYSTEINYL-L-PHENYLALANYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-N-(2-HYDROXY-1-(HYDROXYMETHYL)PROPYL)-, CYCLIC (2->7)-DISULFIDE (R-(R*,R*))-, 4,4'-METHYLENEBIS(3-HYDROXY-2-NAPHTHALENECARBOXYLATE) (1:1) (SALT)L-CYSTEINAMIDE, D-PHENYLALANYL-L-CYSTEINYL-L-PHENYLALANYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-N-(2-HYDROXY-1-(HYDROXYMETHYL)PROPYL)-, CYCLIC (2->7)-DISULPHIDE (R-(R*,R*))-, 4,4'-METHYLENEBIS(3-HYDROXY-2-NAPHTHALENECARBOXYLATE) (1:1) (SALT)RefChem:167859

데이터베이스 식별자

CAS: 135467-16-2
PubChem CID: 44194024
ChEMBL: CHEMBL2105834
UNII: MWH8YQ1AIO

물성

구조 계산 물성

극성 표면적: 498 Å²
수소 결합 공여자 수: 17
수소 결합 수용자 수: 20
회전 가능 결합 수: 21
무거운 원자 수: 100
형식 전하: 0
복잡도: 2,310

화학 및 산업

응용 분야

용도Antineoplastic.

공급사4 곳

杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]

上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]

杭州肽佳生物科技有限公司0571-87213919 15967184799 · [email protected]

TargetMol中国（陶术生物）15002134094 · [email protected]

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