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Basic information
- CAS
936345-35-6- Standard SMILES
Cc1cc(Oc2c(C3CC3)nn(CS(C)(=O)=O)c2C)cc(C)c1C#N- InChIKey
QSFGZNVRVZHUGV-UHFFFAOYSA-N- Molecular formula
- C18H21N3O3S
- Average molar mass
- 359.44 g/mol
Names & identifiers
- Preferred name
- PF-2413873
- English name
- PF-2413873
- Molecular formula
- C18H21N3O3S
- Molecular weight
- 359.44
Names & synonyms
PF-2413873PF-02413873, 10 mM in DMSO4-[3-cyclopropyl-5-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]oxy-2,6-dimethylbenzonitrile4-((3-cyclopropyl-5-methyl-1-((methylsulfonyl)methyl)-1H-pyrazol-4-yl)oxy)-2,6-dimethylbenzonitrileBenzonitrile, 4-[[3-cyclopropyl-5-methyl-1-[(methylsulfonyl)methyl]-1H-pyrazol-4-yl]oxy]-2,6-dimethyl-nonsteroidal,inhibit,PF 2413873,Progesterone Receptor,endometrial,PF-2413873,nuclear,PF 02413873,NR3C3,PF2413873,PF-02413873,translocation,progesterone,Inhibitor
Database identifiers
- CAS
936345-35-6- PubChem CID
- 16662425
- UNII
- FH83GLG04S
- Nikkaji
- J2.712.093H
Properties
Physicochemical properties
- Melting point
- 163 · 163-164 °C
- Boiling point
- 548.9 · 548.9±50.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- room temp
- solubility
- 100 mg/mL · DMSO : 100 mg/mL (278.21 mM; Need ultrasonic)
- pka
- 1.12 · 1.12±0.10(Predicted)
- form
- Solid
- color
- White to light yellow
- InChI
- 1S/C18H21N3O3S/c1-11-7-15(8-12(2)16(11)9-19)24-18-13(3)21(10-25(4,22)23)20-17(18)14-5-6-14/h7-8,14H,5-6,10H2,1-4H3
- InChIKey
- QSFGZNVRVZHUGV-UHFFFAOYSA-N
- SMILES
- CC1=C(C#N)C(C)=CC(OC2=C(C)N(CS(=O)(C)=O)N=C2C3CC3)=C1
- FDA UNII
- 83 GLG04S · FH83GLG04S
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesPF-02413873 (PF-2413873) is a potent selective, fully competitive and orally active nonsteroidal progesterone receptor (PR) antagonist, with a Ki of 2.6 nM. PF-02413873 can block progesterone binding and PR nuclear translocation, and inhibit endometrial growth in vivo[1][2].
Suppliers15 total
United Life Science020-82099279 18988968278 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
上海智乾生物科技有限公司[email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
西安敏则医药科技有限公司13981836672 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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