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SC-58272

CAT: 0013-GTR19196658-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196658-01Size:25 mg
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Description
SC-58272 is a potent and selective small molecule inhibitor of N-myristoyltransferase (Nmt), an enzyme target for developing novel anti-fungal and anti-viral agents. It serves as a valuable chemical probe for investigating protein myristoylation in both in vitro biochemical assays and in vivo pathogenicity studies.
CAS Number
164931-25-3
Field of Research
Infectious Disease & Virology
Smiles
C (C (N[C@H] (C (N[C@H] (C (NCCC1CCCCC1) =O) CCCCN) =O) CO) =O) C2=CC=C (CCCCN3C (C) =NC=C3) C=C2
Molecular Formula
C33H52N6O4
Molecular Weight
596.8
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SC-58272

inhibits myristoyl-CoA:protein N-myristoyltransferase; structure given in first source

CAS Number164931-25-3
PubChem CID446385
IUPAC Name(2S)-6-amino-N-(2-cyclohexylethyl)-2-[[(2S)-3-hydroxy-2-[[2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]acetyl]amino]propanoyl]amino]hexanamide
Molecular FormulaC33H52N6O4
Molecular Weight596.8
XLogP3.5
Topological Polar Surface Area151
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count19
Heavy Atom Count43
Formal Charge0
Complexity815
SMILES
CC1=NC=CN1CCCCC2=CC=C(C=C2)CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC3CCCCC3
InChI
InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m0/s1
InChIKey
WHLPIOSHBKQGHA-KYJUHHDHSA-N
Chemical Structure
2D Structure
2D structure of SC-58272
CAS: 164931-25-3
CID: 446385
Formula: C33H52N6O4
MW: 596.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight596.8
XLogP33.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count19
Exact Mass596.40500416
Monoisotopic Mass596.40500416
Topological Polar Surface Area151 Ų
Heavy Atom Count43
Formal Charge0
Complexity815
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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