Bio-AMS

CAT: 0013-GTR19231215-01Size: 5 mgDry Ice: NoHazardous: No

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Description

Bio-AMS is a selective inhibitor of Mycobacterium tuberculosis biotin protein ligase (BirA) . It disrupts biotinylation, thereby inhibiting bacterial fatty acid and lipid biosynthesis. This compound is a valuable tool for studying Mtb metabolism and validating BirA as a target in both in vitro and in vivo anti-tuberculosis research.

CAS Number

1393881-52-1

Field of Research

Infectious Disease & Virology

Smiles

O[C@H]1[C@H] (N2C=3C (N=C2) =C (N) N=CN3) O[C@H] (CNS (NC (CCCC[C@H]4[C@@]5 ([C@] (CS4) (NC (=O) N5) [H]) [H]) =O) (=O) =O) [C@H]1O

Molecular Formula

C20H29N9O7S2

Molecular Weight

571.63

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Bio-AMS

CAS Number	1393881-52-1
PubChem CID	54592409
IUPAC Name	5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfamoyl]pentanamide
Molecular Formula	C20H29N9O7S2
Molecular Weight	571.6
XLogP	-1.2
Topological Polar Surface Area	269
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	10
Heavy Atom Count	38
Formal Charge	0
Complexity	988

SMILES

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NS(=O)(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)NC(=O)N2

InChI

InChI=1S/C20H29N9O7S2/c21-17-14-18(23-7-22-17)29(8-24-14)19-16(32)15(31)10(36-19)5-25-38(34,35)28-12(30)4-2-1-3-11-13-9(6-37-11)26-20(33)27-13/h7-11,13,15-16,19,25,31-32H,1-6H2,(H,28,30)(H2,21,22,23)(H2,26,27,33)/t9-,10+,11-,13-,15+,16+,19+/m0/s1

InChIKey

RSZBCKJLQVSFKT-RHCAYAJFSA-N

Chemical Structure

2D Structure

CAS: 1393881-52-1

CID: 54592409

Formula: C20H29N9O7S2

MW: 571.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	571.6
XLogP3	-1.2
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	10
Exact Mass	571.16313665
Monoisotopic Mass	571.16313665
Topological Polar Surface Area	269 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	988
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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GTR19153982-01	Arg-AMS
GTR19207101-01	Asp-AMS
GTR19206635	Arg-AMS
GTR19235111-01	Ile-AMS
GTR19239611-01	Glu-AMS TEA

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BA1417-1	Bio-AMS
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YP-W200668-01	Sheep β-AMS (β-AMS) ELISA Kit
BA1254-1	Leu-AMS
BA7170-5	Asp-AMS
T61709-01	AMS-17
T17176-01	Salicyl-AMS

Bio-AMS

Chemical Information

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