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BIM-23056

CAT: 0804-HY-P1203-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P1203-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BIM 23056, a linear octapeptide, is a potent sst3 and sst5 somatostatin receptor antagonist with Ki values of 10.8, 5.7, respectively[1].
CAS Number
150155-61-6
UNSPSC
12352209
Target
Somatostatin Receptor
Type
Peptides
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/bim-23056.html
Purity
99.98
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OC(C=C1)=CC=C1C[C@H](NC([C@@H](NC([C@H](N)CC2=CC=CC=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](C(N[C@@H](CCCCN)C(N[C@@H](C(C)C)C(N[C@H](C(N[C@@H](C(N)=O)CC4=CC5=C(C=CC=C5)C=C4)=O)CC6=CC=CC=C6)=O)=O)=O)CC7=CNC8=CC=CC=C78)=O
Molecular Formula
C71H81N11O9
Molecular Weight
1232.47
References & Citations
[1]Y C Patel, et al. Subtype selectivity of peptide analogs for all five cloned human somatostatin receptors (hsstr 1-5) . Endocrinology. 1994 Dec;135 (6) :2814-7.|[2]W Feniuk, et al. Further evidence from functional studies for somatostatin receptor heterogeneity in guinea-pig isolated ileum, vas deferens and right atrium. Br J Pharmacol. 1995 Jul;115 (6) :975-80.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture)
Scientific Category
Peptides
Clinical Information
No Development Reported
Isoform
SSTR3; SSTR5

Chemical Information

(2S)-6-Amino-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
CAS Number150155-61-6
PubChem CID16133799
IUPAC Name(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular FormulaC71H81N11O9
Molecular Weight1232.5
XLogP8.1
Topological Polar Surface Area335
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count11
Rotatable Bond Count32
Heavy Atom Count91
Formal Charge0
Complexity2320
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](CC2=CC3=CC=CC=C3C=C2)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@@H](CC8=CC=CC=C8)N
InChI
InChI=1S/C71H81N11O9/c1-44(2)63(71(91)81-61(39-47-22-10-5-11-23-47)67(87)77-58(64(74)84)41-49-29-32-50-24-12-13-25-51(50)36-49)82-66(86)57(28-16-17-35-72)76-70(90)62(42-52-43-75-56-27-15-14-26-54(52)56)80-69(89)60(40-48-30-33-53(83)34-31-48)79-68(88)59(38-46-20-8-4-9-21-46)78-65(85)55(73)37-45-18-6-3-7-19-45/h3-15,18-27,29-34,36,43-44,55,57-63,75,83H,16-17,28,35,37-42,72-73H2,1-2H3,(H2,74,84)(H,76,90)(H,77,87)(H,78,85)(H,79,88)(H,80,89)(H,81,91)(H,82,86)/t55-,57+,58-,59+,60+,61+,62-,63+/m1/s1
InChIKey
VPTPBEUWKCLZGU-OOSWLFMASA-N
Chemical Structure
2D Structure
2D structure of (2S)-6-Amino-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
CAS: 150155-61-6
CID: 16133799
Formula: C71H81N11O9
MW: 1232.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1232.5
XLogP38.1
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count11
Rotatable Bond Count32
Exact Mass1231.62187320
Monoisotopic Mass1231.62187320
Topological Polar Surface Area335 Ų
Heavy Atom Count91
Formal Charge0
Complexity2320
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

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