Name: Name:Tanaproget
Brand: Angene
SKU: AG0030A0
Rating: 90 (10 reviews)

Catalog Number:

AG0030A0

Chemical Name:

Tanaproget

CAS Number:

304853-42-7

Molecular Formula:

C16H15N3OS

Molecular Weight:

297.3748

MDL Number:

MFCD18450396

IUPAC Name:

5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1-methylpyrrole-2-carbonitrile

InChI:

InChI=1S/C16H15N3OS/c1-16(2)12-8-10(4-6-13(12)18-15(21)20-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,21)

InChI Key:

PYVFWTPEBMRKSR-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(n1C)c1ccc2c(c1)C(C)(C)OC(=S)N2

UNII:

W9F9H8GXWR

Complexity:

483

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

297.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

297.376g/mol

Monoisotopic Mass:

297.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Title	Journal
Development of [F-18]fluorine-substituted Tanaproget as a progesterone receptor imaging agent for positron emission tomography.	Bioconjugate chemistry 20100616
Imaging progesterone receptor in breast tumors: synthesis and receptor binding affinity of fluoroalkyl-substituted analogues of tanaproget.	Journal of medicinal chemistry 20100422
A new generation of progesterone receptor modulators.	Steroids 20080801
Design, synthesis, and SAR of new pyrrole-oxindole progesterone receptor modulators leading to 5-(7-fluoro-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-5-yl)-1-methyl-1H-pyrrole-2-carbonitrile (WAY-255348).	Journal of medicinal chemistry 20080327
5-(3-Cyclopentyl-2-thioxo-2,3-dihydro-1H-benzimidazol-5-yl)-1-methyl-1H-pyrrole-2-carbonitrile: A novel, highly potent, selective, and orally active non-steroidal progesterone receptor agonist.	Bioorganic & medicinal chemistry 20071015
Pharmacokinetics and safety of tanaproget, a nonsteroidal progesterone receptor agonist, in healthy women.	Contraception 20061101
Development of a mouse model of mammary gland versus uterus tissue selectivity using estrogen- and progesterone-regulated gene markers.	The Journal of steroid biochemistry and molecular biology 20060901
NMR characterization of an S-linked glucuronide metabolite of the potent, novel, nonsteroidal progesterone agonist tanaproget.	Drug metabolism and disposition: the biological fate of chemicals 20060801
Docking and three-dimensional quantitative structure-activity relationship (3D QSAR) analyses of nonsteroidal progesterone receptor ligands.	Journal of medicinal chemistry 20060713
Down-regulation of endometrial matrix metalloproteinase-3 and -7 expression in vitro and therapeutic regression of experimental endometriosis in vivo by a novel nonsteroidal progesterone receptor agonist, tanaproget.	The Journal of clinical endocrinology and metabolism 20060401
Gateways to clinical trials.	Methods and findings in experimental and clinical pharmacology 20050901
Synthesis and structure-activity relationship of novel 6-aryl-1,4-dihydrobenzo[d][1,3]oxazine-2-thiones as progesterone receptor modulators leading to the potent and selective nonsteroidal progesterone receptor agonist tanaproget.	Journal of medicinal chemistry 20050811
Molecular and pharmacological properties of a potent and selective novel nonsteroidal progesterone receptor agonist tanaproget.	The Journal of biological chemistry 20050805