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AG00GU5P

931706-15-9 | PPQ-102

AG00GU5P

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CAS Number	931706-15-9
Catalog Number	AG00GU5P(AGN-PC-00RGVO)
Chemical Name	PPQ-102
IUPAC Name	12,14-dimethyl-9-(5-methylfuran-2-yl)-17-phenyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
InChI	InChI=1S/C26H22N4O3/c1-15-13-14-19(33-15)21-24-23-20(25(31)29(3)26(32)28(23)2)22(16-9-5-4-6-10-16)30(24)18-12-8-7-11-17(18)27-21/h4-14,21,27H,1-3H3
InChI Key	MNOOVRNGPIWJDI-UHFFFAOYSA-N
MDL Number	MFCD14824240
Molecular Formula	C26H22N4O3
Molecular Weight	438.4779
SMILES	CC1=CC=C(C2C3=C(C4=C(N3C5=C(N2)C=CC=C5)C6=CC=CC=C6)N(C)C(N(C4=O)C)=O)O1
Synonyms	PPQ-102, 931706-15-9, PPQ 102, CHEMBL1087004, 7,9-Dimethyl-6-(5-methyl-furan-2-yl)-11-phenyl-6,7-dihydro-5H-5,7,9,11a-tetraaza-benzo[a]fluorene-8,10-dione, CFTR Inhibitor, PPQ102, SCHEMBL11907613, AOB6019, MNOOVRNGPIWJDI-UHFFFAOYSA-N, HMS1856O19, BCP09625, EX-A2141, KS-00001D8I, 3977AH, BDBM50324734, CCG-80832, MFCD14824240, AKOS001913944, AKOS022056355, CS-2863, MCULE-3852314849, NCGC00119851-01, 6,7-Dihydro-7,9-dimethyl-6-(5-methyl-2-furanyl)-11-phenylpyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9)-dione, AK340959, BC600437, DA-40404, HY-14179, FT-0701622, EC-000.2282, D359-0041, 6,7-dihydro-7,9-dimethyl-6-(5-methyl-2-furanyl)-11-phenyl-pyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9)-dione, 7,9-dimethyl-6-(5-methyl-2-furyl)-11-phenyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione, 7,9-Dimethyl-6-(5-methyl-furan-2-yl)-11-phenyl-6,7-dihydro-5H-5,7,9,11a-tetraaza-benzoa]fluorene-8,10-dione, 7,9-dimethyl-6-(5-methylfuran-2-yl)-11-phenyl-5,6-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione, 7,9-dimethyl-6-(5-methylfuran-2-yl)-11-phenyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione, C26H22N4O3, ACN-039863,

Complexity	786
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	438.169g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	438.487g/mol
Monoisotopic Mass	438.169g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	70.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H317
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code	\N

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CERTIFICATE OF ANALYSIS

Chemical Name:	Batch Number:
Chemical Structure:	CAS Registry No:
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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited