Bombesin

HCID 16201612CAS 31362-50-2

기본 정보

표준 SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
InChIKey: QXZBMSIDSOZZHK-DOPDSADYSA-N
분자식: C71H110N24O18S
평균 분자량: 1,619.9 g/mol
단동위원소 질량: 1,618.81506393

이름 및 식별자

우선 이름: Bombesin
IUPAC: (2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanediamide
영어명: Bombesin
분자식: C71H110N24O18S
분자량: 1619.85

이름 및 동의어

31362-50-2Bombesin 14PX9AZU7QPKAlytesin, 2-L-glutamine-6-L-asparagine-Dihydrochloride, BombesinRefChem:120921DTXSID10371495-oxoPro-Gln-Arg-Leu-Gly-Asn-Gln-Trp-Ala-Val-Gly-His-Leu-MetNH2(2S)-N-((2S)-5-carbamimidamido-1-((2S)-1-(2-((2S)-1-((2S)-1,5-dihydroxy-1-((2S)-1-hydroxy-1-((2S)-1-hydroxy-1-((2S)-1-hydroxy-1-(2-hydroxy-2-((2S)-1-hydroxy-1-((2S)-1-hydroxy-1-((2S)-1-hydroxy-1-imino-4-methylsulfanylbutan-2-yl)imino-4-methylpentan-2-yl)imino-3-(1H-imidazol-5-yl)propan-2-yl)iminoethyl)imino-3-methylbutan-2-yl)iminopropan-2-yl)imino-3-(1H-indol-3-yl)propan-2-yl)imino-5-iminopentan-2-yl)imino-1,4-dihydroxy-4-iminobutan-2-yl)imino-2-hydroxyethyl)imino-1-hydroxy-4-methylpentan-2-yl)imino-1-hydroxypentan-2-yl)-2-((hydroxy-((2S)-5-hydroxy-3,4-dihydro-2H-pyrrol-2-yl)methylidene)amino)pentanediimidic acidBombesinAKOS037645006Bombesin trifluoroacetate salt

이름 더 보기

BastrinBombesin - 1 mgbombesin acetateBOMBESIN ACOH 7H2OBombesin USP/EP/BPBombesin, Free BaseBOMBESIN ACETATE SALTPYR-QRLGNQWAVGHLM-NH2bombesin acetate hydrate

bombesin-acetateUNII-PX9AZU7QPKBOMBESIN [MI]pE-QRLGNQWAVGHLM-NH2CCRIS 3334CHEMBL437027orb1679761SCHEMBL29711302

데이터베이스 식별자

CAS: 31362-50-2
PubChem CID: 16201612
DTXSID: DTXSID401370565
ChEMBL: CHEMBL437027
UNII: PX9AZU7QPK

물성

구조 계산 물성

XLogP: -4.4
극성 표면적: 711 Å²
수소 결합 공여자 수: 23
수소 결합 수용자 수: 21
회전 가능 결합 수: 52
무거운 원자 수: 114
형식 전하: 0
복잡도: 3,410

물리화학적 성질

밀도: 1.5 · 1.50±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
용해도: 0.05 M · 0.05 M 아세트산: 20mg/mL, 투명, 무색
산도 계수 (pKa): 13.04 · 13.04±0.46(Predicted)
물리적 상태: 가루
색상: White to off-white
Merck: 13 · 13,1320
BRN: 9611365 · 9611365
InChIKey: QXZBMSIDSOZZHK-DOPDSADYSA-N

안전 및 규제

안전 데이터

wgk: 3
rtecs: BD3480000
safety_code: 22-24/25
F 고인화성물질: 10
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

Substances used for their pharmacological actions on any aspect of neurotransmitter systems. Neurotransmitter agents include agonists, antagonists, degradation inhibitors, uptake inhibitors, depleters, precursors, and modulators of receptor function.

응용 분야 · 2건

개요Bombesin is a tetradecapeptide originally obtained from the skins of toads Bombina bombina and B. variegata. It is also an endogenous neurotransmitter in many animals including mammals. Bombesin affects vascular and other smooth muscle, gastric secretion, and renal circulation and function.

용도Gut tetradecapeptide with the ability to stimulate release of various hormones

공급사50 곳

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

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]

上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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