Products for Research Use Only
RegisterLogin

Orteronel

CAT: 0607-A3686-50Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-A3686-50Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
For castration-resistant prostate cancer, clinical candidate
CAS Number
566939-85-3
Product Name Alternative
6-[(7S)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide
Sequence
TAK-700 (S-form)
Field of Research
GPCR G protein 17,20-lyase
Purity
0.98
Solubility
Soluble in DMSO
Smiles
CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)O
Molecular Formula
C18H17N3O2
Molecular Weight
307.35
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Orteronel

Orteronel is a member of the class of pyrroloimidazoles that is 6,7-dihydro-5H-pyrrolo[1,2-c]imidazole substituted by hydroxy and 6-(methylcarbamoyl)naphthalen-2-yl groups at position 7 (the 7S-stereoisomer). It is a non-steroidal 17,20-lyase inhibitor that suppresses androgen synthesis. It was previously in clinical development for the treatment of castration-resistant prostate cancer trial now discontinued. It has a role as an antineoplastic agent, an EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor and a sterol biosynthesis inhibitor. It is a secondary carboxamide, a tertiary alcohol, a pyrroloimidazole and a naphthalenecarboxamide.

CAS Number566939-85-3
PubChem CID9796590
IUPAC Name6-[(7S)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide
Molecular FormulaC18H17N3O2
Molecular Weight307.3
XLogP1.3
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity471
SMILES
CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)[C@]3(CCN4C3=CN=C4)O
InChI
InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1
InChIKey
OZPFIJIOIVJZMN-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of Orteronel
CAS: 566939-85-3
CID: 9796590
Formula: C18H17N3O2
MW: 307.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight307.3
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass307.132076794
Monoisotopic Mass307.132076794
Topological Polar Surface Area67.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity471
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T6051-01Orteronel
206784Orteronel (racemic)
A22508-10Orteronel (racemic) 10mg
MBS3605059-01TAK-700 (Orteronel)
A22508-200Orteronel (racemic) 200mg
A22508-100Orteronel (racemic) 100mg
A22508-1Orteronel (racemic) 1mg
MBS3607502-01(S/R)-Orteronel
A22508-50Orteronel (racemic) 50mg
A22508-25Orteronel (racemic) 25mg

Popular Products