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MPC-0767

CAT: 1410-M11243-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M11243-02Size:5 mg
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Description
MPC-0767 (MPC0767, MPC3100 mesylate hydrate) is an L-alanine ester prodrug of MPC-3100.
CAS Number
1310540-32-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
663.559
Molecular Formula
C23H31BrN6O8S2
Notes
Research use only, not for human use.
Receptor
HSP

Chemical Information

L-Alanine, (1S)-2-(4-(2-(6-amino-8-((6-bromo-1,3-benzodioxol-5-yl)thio)-9H-purin-9-yl)ethyl)-1-piperidinyl)-1-methyl-2-oxoethyl ester methanesulfonate, hydrate
CAS Number1310540-32-9
PubChem CID134823890
IUPAC Name[(2S)-1-[4-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl] (2S)-2-aminopropanoate;methanesulfonic acid;hydrate
Molecular FormulaC26H36BrN7O9S2
Molecular Weight734.6
Topological Polar Surface Area250
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Heavy Atom Count45
Formal Charge0
Complexity963
SMILES
C[C@@H](C(=O)O[C@@H](C)C(=O)N1CCC(CC1)CCN2C3=NC=NC(=C3N=C2SC4=C(C=C5C(=C4)OCO5)Br)N)N.CS(=O)(=O)O.O
InChI
InChI=1S/C25H30BrN7O5S.CH4O3S.H2O/c1-13(27)24(35)38-14(2)23(34)32-6-3-15(4-7-32)5-8-33-22-20(21(28)29-11-30-22)31-25(33)39-19-10-18-17(9-16(19)26)36-12-37-18;1-5(2,3)4;/h9-11,13-15H,3-8,12,27H2,1-2H3,(H2,28,29,30);1H3,(H,2,3,4);1H2/t13-,14-;;/m0../s1
InChIKey
RAKGMCDUYMHUBZ-AXEKQOJOSA-N
Chemical Structure
2D Structure
2D structure of L-Alanine, (1S)-2-(4-(2-(6-amino-8-((6-bromo-1,3-benzodioxol-5-yl)thio)-9H-purin-9-yl)ethyl)-1-piperidinyl)-1-methyl-2-oxoethyl ester methanesulfonate, hydrate
CAS: 1310540-32-9
CID: 134823890
Formula: C26H36BrN7O9S2
MW: 734.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight734.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Exact Mass733.11993
Monoisotopic Mass733.11993
Topological Polar Surface Area250 Ų
Heavy Atom Count45
Formal Charge0
Complexity963
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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A4063-5MPC-3100
HY-162831MPC-IN-1
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ARI0085MPC-5

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