5-オキソ-L-Pro-L-Gln-L-Arg-L-Leu-Gly-L-Asn-L-Gln-L-Trp-L-Ala-L-Val-Gly-L-His-L-Leu-L-Met-NH2

Bombesin

HCID 16201612CAS 31362-50-2

部分構造検索類似構造を探す

基本情報

標準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
分子式: C71H110N24O18S
平均分子量: 1,619.9 g/mol
単同位体質量: 1,618.81506393

名称と識別子

優先名称: 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
現地名: 5-オキソ-L-Pro-L-Gln-L-Arg-L-Leu-Gly-L-Asn-L-Gln-L-Trp-L-Ala-L-Val-Gly-L-His-L-Leu-L-Met-NH2
英語名: Bombesin
分子式: C71H110N24O18S
分子量: 1619.85

名称と別名

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

名称をさらに表示

ボムベシン5-オキソ-L-Pro-L-Gln-L-Arg-L-Leu-Gly-L-Asn-L-Gln-L-Trp-L-Ala-L-Val-Gly-L-His-L-Leu-L-Met-NH2ボンベシンボンベシン (FROG, BOMBINA BOMBINA)ボンベシン酢酸塩水和物(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-5-カルバムイミドアミド-2-[(2S)-4-カルバモイル-2-{[(2S)-5-オキソピロリジン-2-イル]ホルムアミド}ブタンアミド]ペンタンアミド]-4-メチルペンタンアミド]アセトアミド}-3-カルバモイルプロパンアミド]-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-カルバモイル-3-(メチルスルファニル)プロピル]カルバモイル}-3-メチルブチル]カルバモイル}-2-(1H-イミダゾール-4-イル)エチル]カルバモイル}メチル)カルバモイル]-2-メチルプロピル]カルバモイル}エチル]カルバモイル}-2-(1H-インドール-3-イル)エチル]ペンタンジアミド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

データベース識別子

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

物性

構造計算による物性

XLogP: -4.4
極性表面積: 711 Å²
水素結合供与体数: 23
水素結合受容体数: 21
回転可能結合数: 52
重原子数: 114
形式電荷: 0
複雑度: 3,410

物理化学的性質

比重(密度): 1.5 · 1.50±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
溶解性: 0.05 M酢酸：20 · 0.05M酢酸：20 mg/mL 無色透明
酸解離定数(Pka): 13.04 · 13.04±0.46(Predicted)
外見: Powder
色: White to off-white
Merck: 13 · 13,1320
BRN: 9611365 · 9611365
InChIKey: QXZBMSIDSOZZHK-DOPDSADYSA-N

安全と法規制

安全データ

F: 10
wgk: 3
rtecs: BD3480000
safety_code: 22-24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

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.

応用分野 · 2 件

説明Bombesin 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.

使用Gut tetradecapeptide with the ability to stimulate release of various hormones

調製方法 · 1 件

純化方法Purify Bombesin by gel filtration on a small column of Sephadex G-10 and elute with 0.01 M AcOH. This procedure removes lower molecular weight contaminants which are retarded on the column. The procedure should be repeated twice, and the material should now be homogeneous on electrophoresis, and on chromatography it gives a single active spot which is negative to ninhydrin but positive to Cl2 and iodoplatinate reagents. RF on paper chromatography (n-BuOH/pyridine/AcOH/H2O :: 37.5: 25:7.5:30) is 0.55 for Bombesin and 0.65 for Alytin. [Bernardi et al. Experientia Part 1 27 166 1971, Anastasi et al. Part 2 27 873 1971.] The hydrochloride has m 185o(dec) (from EtOH) [] D -20.6o [c 0.65, Me2NCHO/(Me2N)3PO (8:2)]. [For the stimulation of inositol phosphate see Lloyd et al. Biochem J 260 813 1989.]

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