AN3365 (hydrochloride)

CAT: 0607-C5068-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-C5068-10Size:10 mg

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Description

potent and selective leucyl-tRNA synthetase inhibitor

CAS Number

1234563-16-6

Product Name Alternative

3-[[(3S)-3-(aminomethyl)-1,3-dihydro-1-hydroxy-2,1-benzoxaborol-7-yl]oxy]-1-propanol, monohydrochloride

Sequence

Epetraborole,GSK2251052

Field of Research

Others Synthases Synthetases

Purity

0.98

Form

A crystalline solid

Solubility

≤10mg/ml in DMSO

Smiles

OB1O[C@H](CN)C2=CC=CC(OCCCO)=C21.Cl

Molecular Formula

C11H16BNO4·HCl

Molecular Weight

273.5

Shipping Conditions

Blue ice

Storage Conditions

Store at -20°C.

Chemical Information

Epetraborole hydrochloride

CAS Number	1234563-16-6
PubChem CID	52918389
IUPAC Name	3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol;hydrochloride
Molecular Formula	C11H17BClNO4
Molecular Weight	273.52
Topological Polar Surface Area	84.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	244

SMILES

B1(C2=C(C=CC=C2OCCCO)[C@H](O1)CN)O.Cl

InChI

InChI=1S/C11H16BNO4.ClH/c13-7-10-8-3-1-4-9(16-6-2-5-14)11(8)12(15)17-10;/h1,3-4,10,14-15H,2,5-7,13H2;1H/t10-;/m1./s1

InChIKey

DADYQGIQOBJGIW-HNCPQSOCSA-N

Chemical Structure

2D Structure

CAS: 1234563-16-6

CID: 52918389

Formula: C11H17BClNO4

MW: 273.52

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	273.52
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	273.0939159
Monoisotopic Mass	273.0939159
Topological Polar Surface Area	84.9 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	244
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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AN3365 (hydrochloride)

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