BGC > Product Search > (S)-4-(1-(3-(Difluoromethyl)-1-methyl-5-(3-(trifluoromethyl)phenoxy)-1H-pyrazole-4-carboxamido)ethyl)benzoic acid | 1369489-71-3

Molecular Formula: C22H18F5N3O4

Molecular Formula: C22H18F5N3O4

Description :
E7046 is an orally bioavailable and specific type 4 prostaglandin E2 (PGE2) receptor EP antagonist (IC50= 13.5 nM) (Ki= 23.14 nM), with anti-tumor activities.

• Molecular Weight :483.39
• Boiling Point :594.8±50.0 ℃ at 760 Torr

Molecular Formula :
C22H18F5N3O4
Canonical SMILES :
CC(C1=CC=C(C=C1)C(=O)O)NC(=O)C2=C(N(N=C2C(F)F)C)OC3=CC=CC(=C3)C(F)(F)F
InChI :
1S/C22H18F5N3O4/c1-11(12-6-8-13(9-7-12)21(32)33)28-19(31)16-17(18(23)24)29-30(2)20(16)34-15-5-3-4-14(10-15)22(25,26)27/h3-11,18H,1-2H3,(H,28,31)(H,32,33)/t11-/m0/s1
InChIKey :
MKLKAQMPKHNQPR-NSHDSACASA-N
Solubility :
DMSO: ≥ 100 mg/mL
Storage : Store in a cool and dry place (or refer to the Certificate of Analysis).
Synonyms :
E7046; E-7046; E 7046. 4-[(1S)-1-[[3-(difluoromethyl)-1-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carbonyl]amino]ethyl]benzoic acid

More details are to be found here

Purity : 99%
Smile code : O=C(C1C=CC([C@H](C)NC(=O)C2C(C(F)F)=NN(C)C=2OC2C=C(C(F)(F)F)C=CC=2)=CC=1)O
MDL Number : MFCD30502665
MolFormula : C22H18F5N3O4
MolWeight : 483.3880
Available in stock : 3.774

More details are to be found here

Smile code:
O=C(C1C=CC([C@H](C)NC(=O)C2C(C(F)F)=NN(C)C=2OC2C=C(C(F)(F)F)C=CC=2)=CC=1)O
MDL Number:
MFCD30502665
Purity :
99%
Available in stock:
12.007 g

More details are to be found here

Smile code:
O=C(C1C=CC([C@H](C)NC(=O)C2C(C(F)F)=NN(C)C=2OC2C=C(C(F)(F)F)C=CC=2)=CC=1)O
MDL Number:
MFCD30502665
Purity :
99%
Available in stock:
12.007 g

More details are to be found here