AG0039F6

284028-89-3 | 3,5,7,8-Tetrahydro-2-[4-(trifluoromethyl)phenyl]-4H-thiopyrano[4,3-d]pyrimidin-4-one

AG0039F6

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CAS Number	284028-89-3
Catalog Number	AG0039F6(AGN-PC-0O8KKR)
Chemical Name	3,5,7,8-Tetrahydro-2-[4-(trifluoromethyl)phenyl]-4H-thiopyrano[4,3-d]pyrimidin-4-one
IUPAC Name	2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one
InChI	InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
InChI Key	KLGQSVMIPOVQAX-UHFFFAOYSA-N
MDL Number	MFCD16879017
Molecular Formula	C14H11F3N2OS
Molecular Weight	312.3101
SMILES	O=C1C(CSCC2)=C2NC(C3=CC=C(C(F)(F)F)C=C3)=N1
Synonyms	XAV939, XAV-939, 284028-89-3, XAV939, XAV 939, 3,5,7,8-Tetrahydro-2-[4-(trifluoromethyl)phenyl]-4H-thiopyrano[4,3-d]pyrimidin-4-one, CHEBI:62878, NVP-XAV 939, CHEMBL1086580, 2-(4-(trifluoromethyl)phenyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, MFCD16879017, 2-[4-(trifluoromethyl)phenyl]-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one, 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiino[4,3-d]pyrimidin-4-ol, 2-[4-(Trifluoromethyl)phenyl]-7,8-Dihydro-5h-Thiopyrano[4,3-D]pyrimidin-4-Ol, C14H11F3N2OS, 2-(4-(trifluoromethyl)phenyl)-1,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one, 2-[4-(Trifluoromethyl)phenyl]-1,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one, XAV, 3kr8, 3uh4, AC1MBK2K, Maybridge3_005018, NVP-XAV939, MLS006012021, SCHEMBL7783488, SCHEMBL15315468, AOB4150, DTXSID60369423, XAV939,XAV-939, BCPP000009, HMS1445E02, HMS3648B17, HMS3654O16, HMS3678D07, XAV939, XAV-939, BCP02128, EX-A1760, ABP000288, BDBM50188594, BDBM50318567, BS0283, s1180, ZINC13467799, AKOS015954858, AKOS024457786, AKOS026750243, CCG-208105, CS-0494, MCULE-6143908878, RL02965, SB19432, IDI1_016405, KS-0000181U, NCGC00250397-01, NCGC00484998-01, AC-28393, AK198691, AN-16908, CS-10386, HY-15147, SC-95571, SMR003874205, XAV 939/XAV939,NVP-XAV939, XAV939, >=98% (HPLC), DB-067924, FT-0675873, SW218311-2, X7558, A25698, W-5666, SR-01000946403, J-511234, SR-01000946403-1, BRD-K12762134-001-01-3, BRD-K12762134-001-05-4, 2-[4-(trifluoromethyl)phenyl]-5H,7H,8H-thiopyrano[4,3-d]pyrimidin-4-ol, 6,8-Dihydro-2-[4-(trifluoromethyl)phenyl]-5H-thiopyrano[3,4-d]pyrimidine, 1,5,7,8-Tetrahydro-2-[4-(trifluoromethyl)phenyl]-4H-thiopyrano[4,3-d]pyrimidin-4-one, 2-(4-(trifluoromethyl)phenyl)-7,8-dihydro-1H-thiopyrano[4,3-d]pyrimidin-4(5H)-one, 2-(4-(trifluoromethyl)phenyl)-7,8-dihydro-3H-thiopyrano[4,3-d]pyrimidin-4(5H)-one, 2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiopyrano-[4,3-d]pyrimidin-4-ol, 2-(4-Trifluoromethyl-phenyl)-3,5,7,8-tetrahydro-thiopyrano[4,3-d]pyrimidin-4-one, 2-[4-(trifluoromethyl)phenyl]-1H,4H,5H,7H,8H-thiopyrano[4,3-d]pyrimidin-4-one, NVP-XAV939;3,5,7,8-Tetrahydro-2-[4-(trifluoromethyl)phenyl]-4H-thiopyrano[4,3-d]pyrimidin-4-one, cc-343, KLGQSVMIPOVQAX-UHFFFAOYSA-N, CCG 1423, ZINC00077297, CID2726824, A1877, X0077, A10994, C544261, 285986-88-1, 3,5,7,8-TETRAHYDRO-2-[4-(TRIFLUOROMETHYL)PHENYL]-4H-THIOPYRANO[4,3-D]PYRIMIDIN-4-OL, XAV-939, 98%, a selective Wnt pathway beta-catenin-mediated transcription inhibitor - 100MG 100mg,

Complexity	505
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	312.054g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	312.31g/mol
Monoisotopic Mass	312.054g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H320-H335
Packing Group	Ⅲ
Precautionary statements	P264-P270-P301+P312-P330
UN Code	UN 2811

Certificate of Analysis

Lot Number