BFF122

CAT: 0931-T26785-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T26785-02Size:50 mg

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

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CAS Number

1152314-49-2

Target

Others

Related Pathways

Others

Bioactivity

BFF122 is an inhibitor of kynurenine aminotransferase II (KAT II) .

Smiles

O=C1C=2C3=C(C(=C(F)C2)N4CCN(N)CC4)OC[C@H](C)N3C=C1C(O)=O

Molecular Formula

C17H19FN4O4

Molecular Weight

362.36

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

(2S)-6-(4-aminopiperazin-1-yl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

CAS Number	1152314-49-2
PubChem CID	46829291
IUPAC Name	(2S)-6-(4-aminopiperazin-1-yl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Molecular Formula	C17H19FN4O4
Molecular Weight	362.4
XLogP	-1.1
Topological Polar Surface Area	99.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Heavy Atom Count	26
Formal Charge	0
Complexity	636

SMILES

C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)N)F)C(=O)O

InChI

InChI=1S/C17H19FN4O4/c1-9-8-26-16-13-10(15(23)11(17(24)25)7-22(9)13)6-12(18)14(16)20-2-4-21(19)5-3-20/h6-7,9H,2-5,8,19H2,1H3,(H,24,25)/t9-/m0/s1

InChIKey

ICQVSZFWVUBYSI-VIFPVBQESA-N

Chemical Structure

2D Structure

CAS: 1152314-49-2

CID: 46829291

Formula: C17H19FN4O4

MW: 362.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	362.4
XLogP3	-1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Exact Mass	362.13903326
Monoisotopic Mass	362.13903326
Topological Polar Surface Area	99.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	636
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	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5776512	BFF122

BFF122

Chemical Information

Alternative Products

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