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MV-1-NH-Me

CAT: 0931-T18613-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T18613-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2095244-62-3
Target
Others, Ligand for E3 Ligase
Related Pathways
Others, PROTAC
Bioactivity
MV-1-NH-Me, an MV-1-derived IAP ligand, connects to an ABL inhibitor through a linker, resulting in the formation of SNIPER[1].
Smiles
C([C@H](NC(=O)[C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)[C@H]2CCCCC2)=O)CCC1)C(NC)=O)(C3=CC=CC=C3)C4=CC=CC=C4
Molecular Formula
C33H45N5O4
Molecular Weight
575.74
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

MV-1-NH-Me
CAS Number2095244-62-3
PubChem CID155885774
IUPAC Name1-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-N-[1-(methylamino)-1-oxo-3,3-diphenylpropan-2-yl]pyrrolidine-2-carboxamide
Molecular FormulaC33H45N5O4
Molecular Weight575.7
XLogP4.1
Topological Polar Surface Area120
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count42
Formal Charge0
Complexity892
SMILES
CC(C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)NC(C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC)NC
InChI
InChI=1S/C33H45N5O4/c1-22(34-2)30(39)36-28(25-18-11-6-12-19-25)33(42)38-21-13-20-26(38)31(40)37-29(32(41)35-3)27(23-14-7-4-8-15-23)24-16-9-5-10-17-24/h4-5,7-10,14-17,22,25-29,34H,6,11-13,18-21H2,1-3H3,(H,35,41)(H,36,39)(H,37,40)
InChIKey
FWVBKWFGQNQMDR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MV-1-NH-Me
CAS: 2095244-62-3
CID: 155885774
Formula: C33H45N5O4
MW: 575.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight575.7
XLogP34.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass575.34715493
Monoisotopic Mass575.34715493
Topological Polar Surface Area120 Ų
Heavy Atom Count42
Formal Charge0
Complexity892
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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