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Prinomastat hydrochloride

CAT: 0013-GTR19205075-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205075-01Size:25 mg
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Description
Prinomastat hydrochloride is an orally bioavailable, potent inhibitor of matrix metalloproteinases (MMPs) -1, -3, and -9, demonstrating antitumor activity. It has been investigated in preclinical cancer research for its role in inhibiting tumor growth and metastasis, both in vitro and in vivo studies.
CAS Number
1435779-45-5
Field of Research
Cell Biology, Protein Biochemistry
Smiles
S (=O) (=O) (N1[C@@H] (C (NO) =O) C (C) (C) SCC1) C2=CC=C (OC=3C=CN=CC3) C=C2.Cl
Molecular Formula
C18H22ClN3O5S2
Molecular Weight
459.97
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Prinomastat hydrochloride

Prinomastat hydrochloride is a hydrochloride resulting from the formal reaction of equimolar amounts of prinomastat and hydrogen chloride. A selective inhibitor with of matrix metalloproteinases (MMPs) 2, 3, 9, 13, and 14. It has a role as an antineoplastic agent, a matrix metalloproteinase inhibitor and an EC 3.4.24.35 (gelatinase B) inhibitor. It contains a prinomastat(1+).

CAS Number1435779-45-5
PubChem CID10321991
IUPAC Name(3S)-N-hydroxy-2,2-dimethyl-4-(4-pyridin-4-yloxyphenyl)sulfonylthiomorpholine-3-carboxamide;hydrochloride
Molecular FormulaC18H22ClN3O5S2
Molecular Weight460.0
Topological Polar Surface Area143
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity638
SMILES
CC1([C@@H](N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=NC=C3)C(=O)NO)C.Cl
InChI
InChI=1S/C18H21N3O5S2.ClH/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14;/h3-10,16,23H,11-12H2,1-2H3,(H,20,22);1H/t16-;/m0./s1
InChIKey
UQGWXXLNXBRNBU-NTISSMGPSA-N
Chemical Structure
2D Structure
2D structure of Prinomastat hydrochloride
CAS: 1435779-45-5
CID: 10321991
Formula: C18H22ClN3O5S2
MW: 460.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass459.0689409
Monoisotopic Mass459.0689409
Topological Polar Surface Area143 Ų
Heavy Atom Count29
Formal Charge0
Complexity638
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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