Basic information
- CAS
164931-25-3- Standard SMILES
Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)cc1- InChIKey
WHLPIOSHBKQGHA-KYJUHHDHSA-N- Molecular formula
- C33H52N6O4
- Average molar mass
- 596.8 g/mol
- Monoisotopic mass
- 596.40500416
Overview
inhibits myristoyl-CoA:protein N-myristoyltransferase; structure given in first source
Names & identifiers
- Preferred name
- SC-58272
- IUPAC
- (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
- English name
- L-Lysinamide, N-[2-[4-[4-(2-methyl-1H-imidazol-1-yl)butyl]phenyl]acetyl]-L-seryl-N-(2-cyclohexylethyl)-
- Molecular formula
- C33H52N6O4
- Molecular weight
- 596.8
Names & synonyms
SC-58272SC 58272RefChem:823010164931-25-3[CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]-SERYL]-LYSINYL]-AMINE(2S)-6-amino-N-(2-cyclohexylethyl)-2-[[(2S)-3-hydroxy-2-[[2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]acetyl]amino]propanoyl]amino]hexanamideCHEMBL6269L-Lysinamide, N-((4-(4-(2-methyl-1H-imidazol-1-yl)butyl)phenyl)acetyl)-L-seryl-N1-(2-cyclohexylethyl)-MIMN-({4-[4-(2-methyl-1H-imidazol-1-yl)butyl]phenyl}acetyl)-L-seryl-N-(2-cyclohexylethyl)-L-lysinamideL-Lysinamide, N-[[4-[4-(2-methyl-1H-imidazol-1-yl)butyl]phenyl]acetyl]-L-seryl-N1-(2-cyclohexylethyl)-orb1699373
Show more names
SC58272L-Lysinamide, N-[2-[4-[4-(2-methyl-1H-imidazol-1-yl)butyl]phenyl]acetyl]-L-seryl-N-(2-cyclohexylethyl)-
DTXSID00167824BDBM50034993AKOS040749436DB02477NS00071094T28701(S)-6-Amino-2-[(S)-3-hydroxy-2-(2-{4-[4-(2-methyl-imidazol-1-yl)-butyl]-phenyl}-acetylamino)-propionylamino]-hexanoic acid (2-cyclohexyl-ethyl)-amide
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 19
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 815
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 933.6 · 933.6±65.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 13.81 · 13.81±0.46(Predicted)
Chemistry & industry
Applications
DescriptionSC-58272 is an antifungal NMT inhibitor. N-myristoyltransferase (Nmt) attaches myristate to the N-terminal glycine of many important eukaryotic and viral proteins. It is a target for anti-fungal and anti-viral therapy.
UsesSC-58272 is a potent and selective dipeptide N-myristoyltransferase (Nmt) inhibitor with an IC50 of 56 nM for C. albicans (strain B311) Nmt. SC-58272 shows 250-fold selective for the fungal enzyme compared to human enzyme[1].
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
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Compound notes
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