Ethyl 5-Benzyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate - CAS 134575-05-6

Name: Ethyl 5-Benzyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB007959
Product Name:	Ethyl 5-Benzyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
CAS:	134575-05-6
Synonyms:	4,6-dioxo-5-(phenylmethyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid ethyl ester; ethyl 5-benzyl-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate

Technical Data

IUPAC Name:	ethyl 5-benzyl-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Description:	Ethyl 5-Benzyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate (CAS# 134575-05-6) is a useful research chemical.
Molecular Weight:	301.30
Molecular Formula:	C15H15N3O4
Canonical SMILES:	CCOC(=O)C1=NNC2C1C(=O)N(C2=O)CC3=CC=CC=C3
InChI:	InChI=1S/C15H15N3O4/c1-2-22-15(21)12-10-11(16-17-12)14(20)18(13(10)19)8-9-6-4-3-5-7-9/h3-7,10-11,16H,2,8H2,1H3
InChI Key:	PXMBNSUKLTVWHM-UHFFFAOYSA-N
Solubility:	31.5 [ug/mL] (The mean of the results at pH 7.4)
MDL:	MFCD01031889
LogP:	-0.23520

Publication Number	Title	Priority Date
EP-3334729-A1	Fumagillol spirocyclic compounds and fused bicyclic compounds and their use as metap2 inhibitors	20150811
JP-2018522930-A	Fumagillol spirocyclic compounds and fused bicyclic compounds and their use as METAP2 inhibitors	20150811
US-2018079737-A1	Fumagillol spirocyclic compounds and fused bicyclic compounds and methods of making and using same	20150811
US-2018237449-A1	Fumagillol spirocyclic compounds and fused bicyclic compounds and methods of making and using same	20150811
US-2019023716-A1	Fumagillol spirocyclic compounds and fused bicyclic compounds and methods of making and using same	20150811

Complexity:	525
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	301.10625597
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	301.10625597
Rotatable Bond Count:	5
Topological Polar Surface Area:	88.1
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3