RO-9187 - ≥99% , CAS No.876708-03-1

CAS: 876708-03-1 Cat. No.: R127469 Molecular Weight: 284.23 PubChem CID: 11514721

GRADE & PURITY ≥99%

Synonyms

BKB70803 | RO 9187 | 4-amino-1-[(2R,3S,4S,5R)-5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one | 4-amino-1-((2R,3S,4S,5R)-5-azido-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one | 4-Amino-1-[(2r,3s,4s,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

BKB70803 | RO 9187 | 4-amino-1-[(2R, 3S, 4S, 5R)-5-azido-3, 4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1, 2-dihydropyrimidin-2-one | 4-amino-1-((2R, 3S, 4S, 5R)-5-azido-3, 4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one | 4-Amino-1-[(2r, 3s, 4s,

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

RO-9187 is a potent inhibitor of HCV virus replication in the replicon system (IC(50) = 171 +/- 12 nM; CC(50) >1 mM). Pharmacokinetic studies with RO-9187 in rats and dogs showed that plasma concentrations exceeding HCV replicon IC(50)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1=CN(C(=O)N=C1N)C2C(C(C(O2)(CO)N=[N+]=[N-])O)O
• IUPAC Name: 4-amino-1-[(2R,3S,4S,5R)-5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
• InChIKey: ODLGMSQBFONGNG-XZMZPDFPSA-N
• INCHI: 1S/C9H12N6O5/c10-4-1-2-15(8(19)12-4)7-5(17)6(18)9(3-16,20-7)13-14-11/h1-2,5-7,16-18H,3H2,(H2,10,12,19)/t5-,6-,7+,9+/m0/s1
• Isomeric SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@](O2)(CO)N=[N+]=[N-])O)O
• PubChem CID: 11514721
• Molecular Weight: 284.23

Associated Targets(Human)

HeLa (62764 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hepatitis C virus (23859 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Respiratory syncytial virus (3434 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO
• Molecular Weight: 284.230 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 284.087 Da
• Monoisotopic Mass: 284.087 Da
• Topological Polar Surface Area: 143.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 529.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1