TM5441

CAT: 1568-C12201-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:1568-C12201-01Size:5 mg

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

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CAS Number

1190221-43-2

SKU

C12201-5mg

Target

PAI-1

Applications

Metabolism

Smiles

C1=CC (=CC (=C1) NC (=O) COCC (=O) NC2=C (C=C (C=C2) Cl) C (=O) O) C3=COC=C3

Molecular Formula

C21H17ClN2O6

Additionnal Information

TM5441 is an orally bioavailable inhibitor of plasminogen activator inhibitor-1 (PAI-1) with IC50 ranging between 9.7 μM and 60.3 μM. TM5441 induces intrinsic apoptosis in several human cancer cell lines.

Storage Conditions

3 years -20°C powder

Chemical Information

TM-5441

CAS Number	1190221-43-2
PubChem CID	44250349
IUPAC Name	5-chloro-2-[[2-[2-[3-(furan-3-yl)anilino]-2-oxoethoxy]acetyl]amino]benzoic acid
Molecular Formula	C21H17ClN2O6
Molecular Weight	428.8
XLogP	3.3
Topological Polar Surface Area	118
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	30
Formal Charge	0
Complexity	618

SMILES

C1=CC(=CC(=C1)NC(=O)COCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)O)C3=COC=C3

InChI

InChI=1S/C21H17ClN2O6/c22-15-4-5-18(17(9-15)21(27)28)24-20(26)12-30-11-19(25)23-16-3-1-2-13(8-16)14-6-7-29-10-14/h1-10H,11-12H2,(H,23,25)(H,24,26)(H,27,28)

InChIKey

BGGMLMAPVODXAU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1190221-43-2

CID: 44250349

Formula: C21H17ClN2O6

MW: 428.8

Interactive 3D Structure

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View on PubChem Raw 3D data

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QXB22143-01	TM5441
A19369-10	TM5441 10mg
HY-101761A	TM5441 (sodium)
T84891-01	TM5441 sodium
A19369-500	TM5441 500mg
A19369-5	TM5441 5mg
A19369-50	TM5441 50mg
A19369-25	TM5441 25mg
A19369-100	TM5441 100mg
A19369-2	TM5441 2mg

TM5441

Chemical Information

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