Basic information
- CAS
203915-59-7- Standard SMILES
COc1ccc(S(=O)(=O)N2CC(C)(C)CN(S(=O)(=O)c3ccc(OC)cc3)C2C(=O)NO)cc1- InChIKey
MCSWSPNUKWMZHM-UHFFFAOYSA-N- Molecular formula
- C21H27N3O8S2
- Average molar mass
- 513.6 g/mol
- Monoisotopic mass
- 513.12395718
Names & identifiers
- Preferred name
- Mmp inhibitor II
- IUPAC
- N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxamide
- English name
- MMP INHIBITOR II
- Molecular formula
- C21H27N3O8S2
- Molecular weight
- 513.58
Names & synonyms
mmp inhibitor ii203915-59-7N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxamiden-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethylhexahydropyrimidine-2-carboxamideCHEMBL1157271,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-HEXAHYDRO-PYRIMIDINE-2-CARBOXYLIC ACID HYDROXYAMIDE2-Pyrimidinecarboxamide, hexahydro-N-hydroxy-1,3-bis((4-methoxyphenyl)sulfonyl)-5,5-dimethyl-2-Pyrimidinecarboxamide, hexahydro-N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-N-Hydroxy-1,3-bis((4-methoxyphenyl)sulfonyl)-5,5-dimethylhexahydropyrimidine-2-carboxamide1bqoC21H27N3O8S2N25
Show more names
N-HYDROXY-1,3-DI-(4-METHOXYBENZENESULPHONYL)-5,5-DIMETHYL-[1,3]-PIPERAZINE-2-CARBOXAMIDE
SCHEMBL7080532DTXSID00174336BDBM50066659MFCD02683957NSC727630NSC-727630DS-017666HY-119423
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 847
Physicochemical properties
- Density
- 1.385 · 1.385±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- pka
- 9.53 · 9.53±0.23(Predicted)
- color
- off-white
- InChI
- 1S/C21H27N3O8S2/c1-21(2)13-23(33(27,28)17-9-5-15(31-3)6-10-17)20(19(25)22-26)24(14-21)34(29,30)18-11-7-16(32-4)8-12-18/h5-12,20,26H,13-14H2,1-4H3,(H,22,25)
- InChIKey
- MCSWSPNUKWMZHM-UHFFFAOYSA-N
- UNSPSC Code
- 12352200 · 12352200
- WGK Germany
- 1 · WGK 1
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 1
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesA potent, reversible, broad range inhibitor of matrix metalloproteinases
Suppliers10 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Aladdin Scientific[email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
VDM Biochemicals0330-2528181 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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