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CHIR-090

CAT: 0607-A3307-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-A3307-10Size:10 mg
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Description
Potent LpxC inhibitor
CAS Number
728865-23-4
Product Name Alternative
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzamide
Sequence
CHIR 090;CHIR090
Field of Research
Others LpxC
Purity
0.9937
Form
A solid
Solubility
≥21.85 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O
Smiles
CC(C(C(=O)NO)NC(=O)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)CN3CCOCC3)O
Molecular Formula
C24H27N3O5
Molecular Weight
437.49
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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)
B1852-25CHIR-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
A12365-1CHIR-090 1mg

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