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Bombinakinin M

CAT: 0804-HY-103296Size: 1 EachDry Ice: NoHazardous: No
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Description
Bombinakinin M is a bradykinin receptor agonist with contractile activity in the guinea pig ileum[1][2].
CAS Number
509151-65-9
UNSPSC
12352211
Target
Bradykinin Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/bombinakinin-m.html
Solubility
10 mM in DMSO
Smiles
[DLPKINRKGPRPPGFSPFR]
Molecular Formula
C100H159N31O24
Molecular Weight
2179.53
References & Citations
[1]Wang L, et al. Peptide DV-28 amide: An inhibitor of bradykinin-induced arterial smooth muscle relaxation encoded by Bombina orientalis skin kininogen-2. Peptides. 2010 May;31 (5) :979-82. |[2]Xu X, et al. The chemistry and biological activities of peptides from amphibian skin secretions. Chem Rev. 2015 Feb 25;115 (4) :1760-846.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Bombinakinin M
CAS Number509151-65-9
PubChem CID90473828
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoic acid
Molecular FormulaC100H159N31O24
Molecular Weight2179.5
XLogP-9.7
Topological Polar Surface Area882
Hydrogen Bond Donor Count29
Hydrogen Bond Acceptor Count30
Rotatable Bond Count68
Heavy Atom Count155
Formal Charge0
Complexity4810
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)NCC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CO)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)N
InChI
InChI=1S/C100H159N31O24/c1-5-57(4)80(126-84(141)62(29-13-15-39-102)119-90(147)73-35-21-44-128(73)94(151)69(48-56(2)3)124-81(138)60(103)51-79(136)137)92(149)123-68(52-76(104)133)87(144)118-63(30-16-40-111-98(105)106)83(140)117-61(28-12-14-38-101)82(139)115-54-78(135)127-43-19-34-72(127)89(146)120-64(31-17-41-112-99(107)108)93(150)131-47-23-37-75(131)96(153)130-46-20-33-71(130)88(145)114-53-77(134)116-66(49-58-24-8-6-9-25-58)85(142)125-70(55-132)95(152)129-45-22-36-74(129)91(148)122-67(50-59-26-10-7-11-27-59)86(143)121-65(97(154)155)32-18-42-113-100(109)110/h6-11,24-27,56-57,60-75,80,132H,5,12-23,28-55,101-103H2,1-4H3,(H2,104,133)(H,114,145)(H,115,139)(H,116,134)(H,117,140)(H,118,144)(H,119,147)(H,120,146)(H,121,143)(H,122,148)(H,123,149)(H,124,138)(H,125,142)(H,126,141)(H,136,137)(H,154,155)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t57-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,80-/m0/s1
InChIKey
ZEEWOWMYALYVCG-UOGIEMGNSA-N
Chemical Structure
2D Structure
2D structure of Bombinakinin M
CAS: 509151-65-9
CID: 90473828
Formula: C100H159N31O24
MW: 2179.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2179.5
XLogP3-9.7
Hydrogen Bond Donor Count29
Hydrogen Bond Acceptor Count30
Rotatable Bond Count68
Exact Mass2179.2207799
Monoisotopic Mass2178.2174251
Topological Polar Surface Area882 Ų
Heavy Atom Count155
Formal Charge0
Complexity4810
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5764188Bombinakinin-GAP
M30743Bombinakinin M
MBS6002685-01Bombinakinin-GAP (Bombinakinin M Gene-associated Protein)
B2551-80BBombinakinin-GAP (Bombinakinin M Gene-associated Protein) (Biotin)
MBS6011389-01Bombinakinin-GAP (Bombinakinin M Gene-associated Protein) (Carboxyfluorescein)
TP2075L-01Bombinakinin M acetate
H-009-38Bombinakinin-GAP - Antibody
FG-009-38ABombinakinin-GAP - FAM Labeled
009-39Bombinakinin M (Bombina maxima)
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