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AG00FEQH

714272-27-2 | Plinabulin(NPI-2358)

AG00FEQH

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CAS Number	714272-27-2
Catalog Number	AG00FEQH(AGN-PC-0TYXLC)
Chemical Name	Plinabulin(NPI-2358)
IUPAC Name	(3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
InChI	InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10-
InChI Key	UNRCMCRRFYFGFX-TYPNBTCFSA-N
MDL Number	MFCD18074510
Molecular Formula	C19H20N4O2
Molecular Weight	336.3877
SMILES	CC(C)(C)C1=C(N=CN1)C=C/1C(NC(C(N1)=O)=C/C1=CC=CC=C1)=O
UNII	986FY7F8XR
Synonyms	MBRI-001, NPI 2358, NPI-2358, NPI2358, plinabulin, Plinabulin, 714272-27-2, NPI-2358, Plinabulin (NPI-2358), NPI 2358, NPI-2358 (Plinabulin), UNII-986FY7F8XR, 986FY7F8XR, Plinabulin [USAN:INN], (3z,6z)-3-Benzylidene-6-[(5-Tert-Butyl-1h-Imidazol-4-Yl)methylidene]piperazine-2,5-Dione, Plinabulin (USAN/INN), Plinabulin(NPI-2358), KPU-2, SCHEMBL79095, MLS006011262, CHEMBL1096380, EX-A292, AOB87757, ZINC3819466, BDBM50030765, s1176, AKOS005145762, AKOS024463284, API0005263, BCP9000994, CS-0506, AJ-45728, AN-27472, HY-14444, SC-96616, SMR004703013, BCP0726000116, AX8293302, ST24048941, SW219827-1, X7519, Plinabulin, NPI2358, 714272-27-2, D09655, W-5700, BRD-K99498722-001-01-8, (3Z,6Z)-3-benzylidene-6-((5-(tert-butyl)-1H-imidazol-4-yl)methylene)piperazine-2,5-dione, (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-(phenylmethylidene)piperazine-2,5-dione, (3Z,6Z)-3-[[5-(1,1-dimethylethyl)-1H-imidazol-4-yl]methylene]-6-(phenylmethylene)-2,5-Piperazinedione, 2,5-Piperazinedione, 3-((5-(1,1-dimethylethyl)-1H-imidazol-4-yl)methylene)-6-(phenylmethylene)-, (3Z,6Z)-, D0ZE1O, C19H20N4O2, ACN-025772, CID9949641, A10654, (3E,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione, (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylene]piperazine-2,5-dione, (3Z,6Z)-3-[(5-tert-Butyl-1H-imidazol-4-yl)methylene]-6-(phenylmethylene)-2,5-piperazinedione, 2,5-Piperazinedione, 3-[[5-(1,1-dimethylethyl)-1H-imidazol-4-yl]methylene]-6-(phenylmethylene)-, (3Z,6Z)-,

Complexity	597
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Exact Mass	336.159g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	336.395g/mol
Monoisotopic Mass	336.159g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	86.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited