Basic information
- CAS
146480-35-5- Standard SMILES
O=C(O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1- InChIKey
JBYHBQIDTNHWJF-UHFFFAOYSA-N- Molecular formula
- C21H19NO4S
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 381.10347926
Names & identifiers
- Preferred name
- 72 kDa type IV collagenase
- IUPAC
- 3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid
Names & synonyms
gelatinase ACLG4ARefChem:547074CHL7O0O94ATBE-172 kDa type IV collagenaseDTXSID701054879146480-35-53-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic AcidMMP-2/MMP-9InhibitorICHEMBL88896SCHEMBL6545297
Show more names
HMS3754I03MFCD02683953AKOS040744866DA-63729N-([1,1'-biphenyl]-4-ylsulfonyl)-D-phenylalanine2-[(4-biphenylsulfonyl)amino]-3-phenyl-propionic acid
Database identifiers
- CAS
146480-35-5- PubChem CID
- 4222
- ChEMBL
CHEMBL88896- EC Number
- 998-928-2
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 565
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
P233, P260, P271, P284, P304+P340, P342+P316, P403, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesResp. Sens. 1A (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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