Basic information
- CAS
243975-37-3- Standard SMILES
CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)N(C)C1=O- InChIKey
UHBHXSDKGLPPGO-HTDHLNIYSA-N- Molecular formula
- C29H41N9O10
- Average molar mass
- 675.7 g/mol
- Monoisotopic mass
- 675.29763854
Overview
Argifin has been reported in Gliocladium with data available.
Names & identifiers
- Preferred name
- Argifin
- IUPAC
- (2R,5S,8S,11S,15S)-5-[3-[[amino-(methylcarbamoylamino)methylidene]amino]propyl]-8-benzyl-2,7-dimethyl-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentazacycloheptadecane-11,15-dicarboxylic acid
- English name
- Argifin
- Molecular formula
- C29H41N9O10
- Molecular weight
- 675.69014
Names & synonyms
Argifin243975-37-3DTXSID00332297(2R,5S,8S,11S,15S)-5-[3-[[amino-(methylcarbamoylamino)methylidene]amino]propyl]-8-benzyl-2,7-dimethyl-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentazacycloheptadecane-11,15-dicarboxylic acid(2R,5S,8S,11S,15S)-5-(3-((amino-(methylcarbamoylamino)methylidene)amino)propyl)-8-benzyl-2,7-dimethyl-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentazacycloheptadecane-11,15-dicarboxylic acidRefChem:559935DTXCID40283390(2S,5R,8R,11R,15S)-5-(3-((amino-(methylcarbamoylamino)methylidene)amino)propyl)-8-benzyl-2,7-dimethyl-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentazacycloheptadecane-11,15-dicarboxylic acidCHEMBL197199(2R,5S,8S,11S,15S)-8-Benzyl-2,7-dimethyl-5-(3-(3-(methylcarbamoyl)guanidino)propyl)-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentaazacycloheptadecane-11,15-dicarboxylic acid1w9v1wb0
Show more names
Cyclo[D-alanyl-N5-[imino[[(methylamino)carbonyl]amino]methyl]-L-ornithyl-N-methyl-L-phenylalanyl-L-b-aspartyl-L-b-aspartyl]Cyclo[D-alanyl-N5-[imino[[(methylamino)carbonyl]amino]methyl]-L-ornithyl-N-methyl-L-phenylalanyl-L-β-aspartyl-L-β-aspartyl]
orb1983800BDBM10853FTD 0668HY-P2274BDBM50173286DB03632CS-0121055NS00071704
Database identifiers
- CAS
243975-37-3- PubChem CID
- 449124
- DTXSID
DTXSID00332297- ChEMBL
CHEMBL197199
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 291 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,250
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- form
- Solid
- pka
- 3.01 · 3.01±0.70(Predicted)
- color
- White to off-white
- Sequence
- Cyclo({d-Ala}-{N5-[imino[[(methylamino)carbonyl]amino]methyl]-L-ornithyl}-{Phe(Me)}-{Bas}-{Bas})
Chemistry & industry
Applications
UsesArgifin is a sub-nanomolar chitinase inhibitor produced by soil microorganisms, with IC50s of 0.025 μM, 6.4 μM , 1.1 μM and 4.5 μM for SmChiA (Serratia marcescens chitinaese A), SmChiB, Aspergillus fumigatus chitinase B1 and human chitotriosidase, respectively[1].
Suppliers5 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
杭州肽佳生物科技有限公司0571-87213919 15967184799 · [email protected]
西安齐岳生物科技有限公司400-400-6966-012-012 17778955912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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