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Chemical structure of (Deamino-Phe¹⁹,D-Ala²⁴,D-Pro²⁶-psi(CH₂NH)Phe²⁷)-GRP (19-27) (human, porcine, canine)

GA20088

(Deamino-Phe¹⁹,D-Ala²⁴,D-Pro²⁶-psi(CH₂NH)Phe²⁷)-GRP (19-27) (human, porcine, canine)

Also known as (2R)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-N-[(2S)-1-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanoyl]amino]-3-(1H-indol-3-yl)propyl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide

BW10 (or BW2258U89, Deamino-Phe-His-Trp-Ala-Val-D-Ala-His-D-Pro- psi(CH?NH)-Phe-NH?), a bombesin receptor antagonist, potently inhibits bombesin-evoked release of gastrointestinal hormones from rats and dogs, in vitro and in vivo

ChemicalCAS142061-53-8MW1081.29FormulaC57H72N14O8
CAS number
142061-53-8
Molecular weight
1081.29
Formula
C57H72N14O8
Solubility
Soluble in DMSO
InChIKey
YOZOWKFYBVVMMS-GYEVWEKDSA-N
Catalogue number
GA20088
Brand
GLPBIO
Computed properties PubChem CID 164442 · XLogP 3.3 · TPSA 323 Ų · H-bond donors 11
XLogP
3.3
TPSA
323 Ų
H-bond donors
11
H-bond acceptors
11
Rotatable bonds
27
Heavy atoms
79

SMILES C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NC[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC6=CN=CN6)NC(=O)CCC7=CC=CC=C7)N

Computed descriptors from PubChem (CID 164442), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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