T-448

CAT: 0931-T13057-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T13057-04Size:25 mg

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

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CAS Number

1597426-53-3

Target

Histone Demethylase

Related Pathways

Chromatin/Epigenetic

Purity

0.9863

Bioactivity

T-448 is a specific, orally active, and irreversible inhibitor of lysine-specific demethylase 1 (LSD1, an H3K4 demethylase) with an IC50 of 22 nM.

Smiles

C(=C/C(O)=O)\C(O)=O.N([C@H]1[C@@H](C1)C2=CC(C(NC3=NN=C(C)S3)=O)=CC=C2)C4CCC4

Molecular Formula

C19H22N4O3S

Molecular Weight

386.47

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

(E)-But-2-enedioic acid;3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

CAS Number	1597426-53-3
PubChem CID	137796965
IUPAC Name	(E)-but-2-enedioic acid;3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
Molecular Formula	C21H24N4O5S
Molecular Weight	444.5
Topological Polar Surface Area	170
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Heavy Atom Count	31
Formal Charge	0
Complexity	563

SMILES

CC1=NN=C(S1)NC(=O)C2=CC=CC(=C2)[C@H]3C[C@@H]3NC4CCC4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H20N4OS.C4H4O4/c1-10-20-21-17(23-10)19-16(22)12-5-2-4-11(8-12)14-9-15(14)18-13-6-3-7-13;5-3(6)1-2-4(7)8/h2,4-5,8,13-15,18H,3,6-7,9H2,1H3,(H,19,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+/t14-,15+;/m1./s1

InChIKey

BNLKYWVPJPFTMA-YWNVCFPDSA-N

Chemical Structure

2D Structure

CAS: 1597426-53-3

CID: 137796965

Formula: C21H24N4O5S

MW: 444.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	444.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	444.14674105
Monoisotopic Mass	444.14674105
Topological Polar Surface Area	170 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	563
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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TP1093-01	TAK-448 acetate
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TMPY-04224-01	Influenza A H9N2 (A/duck/Hong Kong/448/78) Hemagglutinin/HA1 Protein (His)
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Alternative Products

Catalog	Name
BA4796-5	T-448
A21959-50	T-448 50mg
BUP01460-01	(Iso) -T 448
A21959-5	T-448 5mg
A21959-25	T-448 25mg
A21959-1	T-448 1mg
A21959-100	T-448 100mg
A21959-10	T-448 10mg
MBS3602283-01	T-448 free base
HY-122635	T-448 (free base)

T-448

Chemical Information

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