Products

AG00GU3M

873225-46-8 | IKK 16

AG00GU3M

SDS

COA

TIP This product is typically in stock.Please contact us for quotation.

Request For Quotation

CAS Number	873225-46-8
Catalog Number	AG00GU3M(AGN-PC-0VCAOA)
Chemical Name	IKK 16
IUPAC Name	[4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
InChI	InChI=1S/C28H29N5OS/c34-27(33-17-12-23(13-18-33)32-15-3-4-16-32)20-7-9-22(10-8-20)30-28-29-14-11-24(31-28)26-19-21-5-1-2-6-25(21)35-26/h1-2,5-11,14,19,23H,3-4,12-13,15-18H2,(H,29,30,31)
InChI Key	BWZJBXAPRCVCKQ-UHFFFAOYSA-N
MDL Number	MFCD23704180
Molecular Formula	C28H29N5OS
Molecular Weight	483.6278
SMILES	O=C(C1=CC=C(NC2=NC=CC(C3=CC4=CC=CC=C4S3)=N2)C=C1)N5CCC(N6CCCC6)CC5
Synonyms	873225-46-8, IKK Inhibitor VII, IKK 16, IKK-16, IKK-16 (IKK Inhibitor VII), IKK16, CHEMBL200027, [4-[(4-Benzo[b]thien-2-yl-2-pyriMidinyl)aMino]phenyl][4-(1-pyrrolidinyl)-1-piperidinyl]-Methanone, C28H29N5OS, IKK Inhibitor, (4-((4-(Benzo[b]thiophen-2-yl)pyrimidin-2-yl)amino)phenyl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone, K00596a, IKK 16 free, IKK-16(free base), MLS006011189, IKK-16;IKK Inhibitor VII, SCHEMBL15299484, CHEBI:92257, DTXSID80429553, EX-A721, HMS3229F15, HMS3651J04, BCP19060, 2471AH, BDBM50175688, IN1460, MFCD23704180, s2882, ZINC13831229, AKOS027288951, CS-1282, SB19539, NCGC00167767-01, NCGC00167767-03, NCGC00167767-13, BC600527, HY-13687, SMR004702958, FT-0700387, SW219531-1, W-6024, J-690374, BRD-K14618467-003-01-8, (4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)phenyl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone, [4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone, 4-(1-benzothiophen-2-yl)-N-[4-([4-pyrrolidin-1-yl-piperidin-1-yl]carbonyl)-phenyl]pyrimidin-2-amine, 873225-46-8 (free base), CID9549298, B1586, A12836, 1-{2-[2-(Dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-5-yl}urea,

Complexity	702
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	483.209g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	483.634g/mol
Monoisotopic Mass	483.209g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	89.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.3

GHS Hazard and Precautionary Statements

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

Product Recommendations

CERTIFICATE OF ANALYSIS

Chemical Name:	Batch Number:
Chemical Structure:	CAS Registry No:
	Product ID:
	Manufacture Date:
	Storage Temperature:
	Formula:
	Molecular Weight:
	Quantity:

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited