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CHIR-090

CAT: 0013-GTR19170958-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170958-01Size:1 mg
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Description
CHIR-090 is a potent and selective small molecule inhibitor of the LpxC enzyme, exhibiting antibiotic activity. It is a valuable research tool for studying Gram-negative bacterial infections and peptidoglycan biosynthesis in both in vitro and in vivo experimental models.
CAS Number
728865-23-4
Product Name Alternative
CHIR090, CHIR-090, CHIR 090, Bacterial, Inhibitor, inhibit
Field of Research
Infectious Disease & Virology
Purity
96.10% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween-80+45% Saline:1 mg/mL (2.29 mM) ; DMSO:60 mg/mL (137.15 mM)
Smiles
C[C@@H] (O) [C@H] (NC (=O) c1ccc (cc1) C#Cc1ccc (CN2CCOCC2) cc1) C (=O) NO
Molecular Formula
C24H27N3O5
Molecular Weight
437.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Chir-090

CHIR-090 is an L-threonine derivative obtained by formal condensation of the carboxy group of 4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzoic acid with the amino group of N-hydroxy-L-threoninamide. It has a role as a lipopolysaccharide biosynthesis inhibitor, an EC 3.5.1.108 (UDP-3-O-acyl-N-acetylglucosamine deacetylase) inhibitor and an antimicrobial agent. It is a member of benzamides, a hydroxamic acid, a member of morpholines, an acetylenic compound and a L-threonine derivative.

CAS Number728865-23-4
PubChem CID11546620
IUPAC NameN-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzamide
Molecular FormulaC24H27N3O5
Molecular Weight437.5
XLogP1.3
Topological Polar Surface Area111
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity680
SMILES
C[C@H]([C@@H](C(=O)NO)NC(=O)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)CN3CCOCC3)O
InChI
InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22+/m1/s1
InChIKey
FQYBTYFKOHPWQT-VGSWGCGISA-N
Chemical Structure
2D Structure
2D structure of Chir-090
CAS: 728865-23-4
CID: 11546620
Formula: C24H27N3O5
MW: 437.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.5
XLogP31.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass437.19507097
Monoisotopic Mass437.19507097
Topological Polar Surface Area111 Ų
Heavy Atom Count32
Formal Charge0
Complexity680
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS131423CHIR-090 (CHIR 090; CHIR090)
A3307-200CHIR-090
A12365-50CHIR-090 50mg
A12365-500CHIR-090 500mg
A12365-25CHIR-090 25mg
A12365-10CHIR-090 10mg
A12365-5CHIR-090 5mg
HY-15460R-01CHIR-090 (Standard)
A12365-100CHIR-090 100mg

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