Products for Research Use Only

BW-10

CAT: 0013-GTR19209142-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209142-02Size:50 mg
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Description
BW-10 is a potent inhibitor of bombesin-induced gastrointestinal hormone secretion. This small molecule is a valuable research tool for studying neurohormonal signaling in both in vitro assays and animal models, aiding investigations into digestive physiology and related disorders.
CAS Number
142061-53-8
Smiles
C ([C@H] (NC ([C@H] (CC1=CN=CN1) NC (CCC2=CC=CC=C2) =O) =O) C (N[C@H] (C (N[C@H] (C (N[C@@H] (C (N[C@H] (C (=O) N3[C@@H] (CN[C@@H] (CC4=CC=CC=C4) C (N) =O) CCC3) CC5=CN=CN5) =O) C) =O) C (C) C) =O) C) =O) C=6C=7C (NC6) =CC=CC7
Molecular Formula
C57H72N14O8
Molecular Weight
1081.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

BW 10

potently inhibits bombesin evoked release of gastrointestinal hormones in vitro & in vivo

CAS Number142061-53-8
PubChem CID164442
IUPAC Name(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
Molecular FormulaC57H72N14O8
Molecular Weight1081.3
XLogP3.3
Topological Polar Surface Area323
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count11
Rotatable Bond Count27
Heavy Atom Count79
Formal Charge0
Complexity2040
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
InChI
InChI=1S/C57H72N14O8/c1-34(2)50(70-51(73)35(3)58)56(78)65-36(4)52(74)69-47(27-41-30-60-33-64-41)57(79)71-23-13-20-48(71)55(77)68-45(24-38-16-9-6-10-17-38)53(75)62-31-42(25-39-28-61-44-19-12-11-18-43(39)44)66-54(76)46(26-40-29-59-32-63-40)67-49(72)22-21-37-14-7-5-8-15-37/h5-12,14-19,28-30,32-36,42,45-48,50,61H,13,20-27,31,58H2,1-4H3,(H,59,63)(H,60,64)(H,62,75)(H,65,78)(H,66,76)(H,67,72)(H,68,77)(H,69,74)(H,70,73)/t35-,36+,42-,45-,46-,47-,48+,50-/m0/s1
InChIKey
YOZOWKFYBVVMMS-GYEVWEKDSA-N
Chemical Structure
2D Structure
2D structure of BW 10
CAS: 142061-53-8
CID: 164442
Formula: C57H72N14O8
MW: 1081.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1081.3
XLogP33.3
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count11
Rotatable Bond Count27
Exact Mass1080.56575531
Monoisotopic Mass1080.56575531
Topological Polar Surface Area323 Ų
Heavy Atom Count79
Formal Charge0
Complexity2040
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes