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MEN-10573

CAT: 0013-GTR19209813-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209813-01Size:25 mg
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Description
MEN-10573 is a cyclic pseudopeptide compound that acts as a potent and selective antagonist of the tachykinin NK-2 receptor. It is a valuable research tool for investigating the role of NK-2 receptors in physiological and pathophysiological processes, with applications in both in vitro binding assays and in vivo functional studies.
CAS Number
151911-03-4
Field of Research
Signal Transduction
Smiles
C (C=1C=2C (NC1) =CC=CC2) C3C (=O) NC (CC4=CC=CC=C4) C (=O) NCCC (=O) NC (CC (C) C) CNC (CC (OCC5=CC=CC=C5) =O) C (=O) NC (CCC (N) =O) C (=O) N3
Molecular Formula
C45H56N8O8
Molecular Weight
836.97
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Men 10573

a cyclic pseudopeptide; a potent tachykinin NK-2 receptor antagonist

CAS Number151911-03-4
PubChem CID196939
IUPAC Namebenzyl 2-[8-(3-amino-3-oxopropyl)-14-benzyl-11-(1H-indol-3-ylmethyl)-2-(2-methylpropyl)-6,9,12,15,19-pentaoxo-1,4,7,10,13,16-hexazacyclononadec-5-yl]acetate
Molecular FormulaC45H56N8O8
Molecular Weight837.0
XLogP2.7
Topological Polar Surface Area243
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Heavy Atom Count61
Formal Charge0
Complexity1480
SMILES
CC(C)CC1CNC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCC(=O)N1)CC2=CC=CC=C2)CC3=CNC4=CC=CC=C43)CCC(=O)N)CC(=O)OCC5=CC=CC=C5
InChI
InChI=1S/C45H56N8O8/c1-28(2)21-32-26-49-36(24-41(56)61-27-30-13-7-4-8-14-30)44(59)51-35(17-18-39(46)54)43(58)53-38(23-31-25-48-34-16-10-9-15-33(31)34)45(60)52-37(22-29-11-5-3-6-12-29)42(57)47-20-19-40(55)50-32/h3-16,25,28,32,35-38,48-49H,17-24,26-27H2,1-2H3,(H2,46,54)(H,47,57)(H,50,55)(H,51,59)(H,52,60)(H,53,58)
InChIKey
QOHLOAJGFVUXEK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Men 10573
CAS: 151911-03-4
CID: 196939
Formula: C45H56N8O8
MW: 837.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight837.0
XLogP32.7
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Exact Mass836.42211077
Monoisotopic Mass836.42211077
Topological Polar Surface Area243 Ų
Heavy Atom Count61
Formal Charge0
Complexity1480
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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