Debio1452-NH2 HCl

CAT: 0931-T202038-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T202038-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2376749-51-6

Bioactivity

Debio-1452-NH3 is a novel and potent FabI antibody—enoyl-acyl carrier protein reductase inhibitor that demonstrates excellent efficacy in reducing bacterial load in mice. It effectively treats lethal infections caused by clinically isolated strains of Pseudomonas aeruginosa (Acinetobacter baumannii), Klebsiella pneumoniae, and Escherichia coli (E. coli) .

Smiles

CC=1C=2C(OC1CN(C(/C=C/C=3C=C4C(NC3)=NC(=O)C(N)C4)=O)C)=CC=CC2.Cl

Molecular Formula

C22H23ClN4O3

Molecular Weight

426.9

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

(E)-3-(6-amino-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide;hydrochloride

CAS Number	2376749-51-6
PubChem CID	139490506
IUPAC Name	(E)-3-(6-amino-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide;hydrochloride
Molecular Formula	C22H23ClN4O3
Molecular Weight	426.9
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	30
Formal Charge	0
Complexity	654

SMILES

CC1=C(OC2=CC=CC=C12)CN(C)C(=O)/C=C/C3=CC4=C(NC(=O)C(C4)N)N=C3.Cl

InChI

InChI=1S/C22H22N4O3.ClH/c1-13-16-5-3-4-6-18(16)29-19(13)12-26(2)20(27)8-7-14-9-15-10-17(23)22(28)25-21(15)24-11-14;/h3-9,11,17H,10,12,23H2,1-2H3,(H,24,25,28);1H/b8-7+;

InChIKey

LSZRWQBFJNNCHB-USRGLUTNSA-N

Chemical Structure

2D Structure

CAS: 2376749-51-6

CID: 139490506

Formula: C22H23ClN4O3

MW: 426.9

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	426.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	426.1458683
Monoisotopic Mass	426.1458683
Topological Polar Surface Area	101 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	654
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
GTR19242520-01	Debio1452-NH2 HCl
MD005005-23	NH2-PEG23-NH2
MD005005-4-01	NH2-PEG4-NH2
MD005005-11-01	NH2-PEG11-NH2
MD005005-5-01	NH2-PEG5-NH2
MD005005-7	NH2-PEG7-NH2
abx186613-01	NH2-PEG3-NH2
abx085457	NH2-PEG8-NH2
HY-138523	NH2-PEG3500-NH2
abx085036-01	NH2-PEG-NH2

Debio1452-NH2 HCl

Chemical Information

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