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Vapreotide Acetate

CAT: 0024-sc-474666Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-474666Size:5 mg
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CAS Number
116430-60-5

Chemical Information

Vapreotide Acetate

Vapreotide is only found in individuals that have used or taken this drug. It is a synthetic octapeptide somatostatin analog. It was being studied for the treatment of cancer.The exact mechanism of action is unknown, although one study has provided in vitro and in vivo evidence for a tachykinin NK1 receptor antagonist effect in the analgesic effects of vapreotide (A2442).

CAS Number116430-60-5
PubChem CID6918025
IUPAC Nameacetic acid;(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular FormulaC59H74N12O11S2
Molecular Weight1191.4
Topological Polar Surface Area439
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count15
Rotatable Bond Count18
Heavy Atom Count84
Formal Charge0
Complexity2110
SMILES
CC(C)[C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)N)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N.CC(=O)O
InChI
InChI=1S/C57H70N12O9S2.C2H4O2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58;1-2(3)4/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73);1H3,(H,3,4)/t40-,43+,44+,45+,46-,47+,48+,49+;/m1./s1
InChIKey
KBIZSMHYSQUHDH-NCACADTJSA-N
Chemical Structure
2D Structure
2D structure of Vapreotide Acetate
CAS: 116430-60-5
CID: 6918025
Formula: C59H74N12O11S2
MW: 1191.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1191.4
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count15
Rotatable Bond Count18
Exact Mass1190.50414357
Monoisotopic Mass1190.50414357
Topological Polar Surface Area439 Ų
Heavy Atom Count84
Formal Charge0
Complexity2110
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FV73145-01Vapreotide acetate
HY-P0061A-01Vapreotide (acetate)
E47R37050Vapreotide, Acetate Rabbit pAb
SL37050R-01Rabbit Anti-Vapreotide, Acetate antibody
GTR17738592-01Vapreotide, Acetate Rabbit Polyclonal Antibody
GTR18447653Vapreotide, Acetate Rabbit Polyclonal Antibody (BF488)
GTR18447647Vapreotide, Acetate Rabbit Polyclonal Antibody (Cy3)
GTR18447643Vapreotide, Acetate Rabbit Polyclonal Antibody (Cy7)
GTR18447654Vapreotide, Acetate Rabbit Polyclonal Antibody (BF405)
GTR18447651Vapreotide, Acetate Rabbit Polyclonal Antibody (BF594)

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