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Veldoreotide

CAT: 0931-TP2420-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TP2420-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
252845-37-7
Target
Somatostatin
Related Pathways
GPCR/G Protein
Bioactivity
Veldoreotide, also known as Somatoprim, is a unique somatostatin receptor subtypes 2-, 4- and 5-selective analogue which effectively reduces GH secretion in human GH-secreting pituitary adenomas, even in Octreotide non-responsive tumours.
Smiles
C(C=1C=2C(NC1)=CC=CC2)[C@H]3C(=O)N[C@H](CC=4C=5C(NC4)=CC=CC5)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]([C@@H](C)O)(C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N(CC(N)=O)CCCC(=O)NCCCC(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N3)[H]
Molecular Formula
C60H74N12O10
Molecular Weight
1123.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Veldoreotide

Somatoprim is under investigation for the treatment of Acromegaly.

CAS Number252845-37-7
PubChem CID9919857
IUPAC Name2-[(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3,18-dibenzyl-6-[(1R)-1-hydroxyethyl]-12,15-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20,25-octaoxo-1,4,7,10,13,16,19,24-octazacyclooctacos-1-yl]acetamide
Molecular FormulaC60H74N12O10
Molecular Weight1123.3
XLogP3.1
Topological Polar Surface Area345
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count11
Rotatable Bond Count15
Heavy Atom Count82
Formal Charge0
Complexity2140
SMILES
C[C@H]([C@H]1C(=O)N[C@H](C(=O)N(CCCC(=O)NCCCC(=O)N[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=CNC5=CC=CC=C54)CC6=CC=CC=C6)CC(=O)N)CC7=CC=CC=C7)O
InChI
InChI=1S/C60H74N12O10/c1-37(73)54-59(81)70-50(31-39-18-6-3-7-19-39)60(82)72(36-51(62)74)29-15-26-52(75)63-28-14-25-53(76)66-47(30-38-16-4-2-5-17-38)56(78)68-49(33-41-35-65-45-23-11-9-21-43(41)45)58(80)69-48(32-40-34-64-44-22-10-8-20-42(40)44)57(79)67-46(55(77)71-54)24-12-13-27-61/h2-11,16-23,34-35,37,46-50,54,64-65,73H,12-15,24-33,36,61H2,1H3,(H2,62,74)(H,63,75)(H,66,76)(H,67,79)(H,68,78)(H,69,80)(H,70,81)(H,71,77)/t37-,46+,47+,48-,49+,50+,54+/m1/s1
InChIKey
ABFNTRQPWNXUHA-VEVJRHMJSA-N
Chemical Structure
2D Structure
2D structure of Veldoreotide
CAS: 252845-37-7
CID: 9919857
Formula: C60H74N12O10
MW: 1123.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1123.3
XLogP33.1
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count11
Rotatable Bond Count15
Exact Mass1122.56508660
Monoisotopic Mass1122.56508660
Topological Polar Surface Area345 Ų
Heavy Atom Count82
Formal Charge0
Complexity2140
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes