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MPT0B390

CAT: 0013-GTR19166677-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19166677-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MPT0B390 is a small molecule HDAC inhibitor that upregulates TIMP3 expression. This dual activity suppresses tumor progression, metastasis, and angiogenesis, as demonstrated in both cellular assays and in vivo cancer models for research applications.
CAS Number
1817802-18-8
Product Name Alternative
Colorectal cancer, colon cancer, angiogenesis, Inhibitor, HCT116, HDAC, HDAC inhibitory ability, Histone deacetylases, metastasis, inhibit, MPT0B 390, MPT0B390, MPT0B-390, TIMP3
Field of Research
Epigenetics & Chromatin, Molecular Biology
Purity
98.23% (May vary between batches)
Solubility
DMSO:245 mg/mL (652.64 mM)
Smiles
COc1ccc (cc1) S (=O) (=O) N1CCc2cc (\C=C\C (=O) NO) cnc12
Molecular Formula
C17H17N3O5S
Molecular Weight
375.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 118445158
CAS Number1817802-18-8
PubChem CID118445158
IUPAC Name(E)-N-hydroxy-3-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide
Molecular FormulaC17H17N3O5S
Molecular Weight375.4
XLogP1.1
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity625
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C2N=CC(=C3)/C=C/C(=O)NO
InChI
InChI=1S/C17H17N3O5S/c1-25-14-3-5-15(6-4-14)26(23,24)20-9-8-13-10-12(11-18-17(13)20)2-7-16(21)19-22/h2-7,10-11,22H,8-9H2,1H3,(H,19,21)/b7-2+
InChIKey
QPXOAQWHONRALN-FARCUNLSSA-N
Chemical Structure
2D Structure
2D structure of CID 118445158
CAS: 1817802-18-8
CID: 118445158
Formula: C17H17N3O5S
MW: 375.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.4
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass375.08889182
Monoisotopic Mass375.08889182
Topological Polar Surface Area117 Ų
Heavy Atom Count26
Formal Charge0
Complexity625
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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