RO314724

CAT: 0931-T71420-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T71420-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

112105-54-1

Target

Others

Related Pathways

Others

Bioactivity

RO314724 is a HDAC inhibitor. RO314724 is also a a reversible, tightly binding, MMP inhibitor with a Ki of 26 nm. Matrix metalloproteinases (MMPs) belong to the key enzymes of the proteolytic destruction of cartilage matrix during chronic rheumatic diseases. Ro314724 displayed MMP-proteoglycanase inhibitory activity both in vitro and ex vivo and proved to be not harmful to the morphology, viability and proteoglycan biosynthesis of bovine articular cartilage explants.

Smiles

[C@@H](NC([C@@H](CC(NO)=O)CC(C)C)=O)(C(N[C@H](C(OCC)=O)C)=O)CC(C)C

Molecular Formula

C19H35N3O6

Molecular Weight

401.5

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Ro 314724

structure given in first source

CAS Number	112105-54-1
PubChem CID	5487313
IUPAC Name	ethyl (2S)-2-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoate
Molecular Formula	C19H35N3O6
Molecular Weight	401.5
XLogP	1.7
Topological Polar Surface Area	134
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	13
Heavy Atom Count	28
Formal Charge	0
Complexity	536

SMILES

CCOC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO

InChI

InChI=1S/C19H35N3O6/c1-7-28-19(26)13(6)20-18(25)15(9-12(4)5)21-17(24)14(8-11(2)3)10-16(23)22-27/h11-15,27H,7-10H2,1-6H3,(H,20,25)(H,21,24)(H,22,23)/t13-,14+,15-/m0/s1

InChIKey

XKRONJXEXGFBRZ-ZNMIVQPWSA-N

Chemical Structure

2D Structure

CAS: 112105-54-1

CID: 5487313

Formula: C19H35N3O6

MW: 401.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	401.5
XLogP3	1.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	13
Exact Mass	401.25258584
Monoisotopic Mass	401.25258584
Topological Polar Surface Area	134 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	536
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19209260-01	RO314724

RO314724

Chemical Information

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