Ganfeborole HCl

CAT: 0931-T11497-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T11497-01Size:1 mg

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

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CAS Number

2131798-13-3

Target

Antibacterial

Related Pathways

Microbiology/Virology

Purity

0.9988

Bioactivity

Ganfeborole HCl (GSK3036656 HCl) is a small molecule compound with anti-tuberculosis activity and is an inhibitor of Mycobacterium tuberculosis (Mtb) leucyl-tRNA synthetase (LeuRS; IC50: 0.2 μM) .

Smiles

Cl.NC[C@H]1OB(O)c2c1c(Cl)ccc2OCCO

Molecular Formula

C10H14BCl2NO4

Molecular Weight

293.94

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Ganfeborole (hydrochloride)

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CAS Number	2131798-13-3
PubChem CID	134691736
IUPAC Name	2-[[(3S)-3-(aminomethyl)-4-chloro-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]ethanol;hydrochloride
Molecular Formula	C10H14BCl2NO4
Molecular Weight	293.94
Topological Polar Surface Area	84.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	260

SMILES

B1(C2=C(C=CC(=C2[C@H](O1)CN)Cl)OCCO)O.Cl

InChI

InChI=1S/C10H13BClNO4.ClH/c12-6-1-2-7(16-4-3-14)10-9(6)8(5-13)17-11(10)15;/h1-2,8,14-15H,3-5,13H2;1H/t8-;/m1./s1

InChIKey

FUOKBESTQMGROA-DDWIOCJRSA-N

Chemical Structure

2D Structure

CAS: 2131798-13-3

CID: 134691736

Formula: C10H14BCl2NO4

MW: 293.94

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	293.94
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	293.0392935
Monoisotopic Mass	293.0392935
Topological Polar Surface Area	84.9 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	260
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
C04658	Ganfeborole hydrochloride
HY-134648	Ganfeborole
HY-107775-01	Ganfeborole (hydrochloride)
GTR19205699-01	Ganfeborole HCl

Ganfeborole HCl

Chemical Information

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