CJ-463

CAT: 0931-T69028-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T69028-01Size:25 mg

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

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CAS Number

600142-19-6

Target

PAI-1, Others

Related Pathways

Others, Metabolism

Bioactivity

CJ-463 is a potent ans selective uPA inhibitor. Treatment with CJ-463 resulted in a significant inhibition of primary tumor growth, with the highest efficacy seen in the 100 mg/kg group. Urokinase (uPA) plays a crucial role in carcinogenesis by facilitating tumor cell invasion and metastasis. CJ-463 may be a novel agent for treatment of lung cancer.

Smiles

C(NC([C@@H](NC([C@H](NS(CC1=CC=CC=C1)(=O)=O)CO)=O)CO)=O)C2=CC=C(C(=N)N)C=C2

Molecular Formula

C21H27N5O6S

Molecular Weight

477.53

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

N-(Benzylsulfonyl)seryl-N~1~-{4-[(Z)-amino(imino)methyl]benzyl}serinamide

CAS Number	600142-19-6
PubChem CID	449051
IUPAC Name	(2S)-2-[[(2R)-2-(benzylsulfonylamino)-3-hydroxypropanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]-3-hydroxypropanamide
Molecular Formula	C21H27N5O6S
Molecular Weight	477.5
XLogP	-1.3
Topological Polar Surface Area	203
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	12
Heavy Atom Count	33
Formal Charge	0
Complexity	758

SMILES

C1=CC=C(C=C1)CS(=O)(=O)N[C@H](CO)C(=O)N[C@@H](CO)C(=O)NCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H27N5O6S/c22-19(23)16-8-6-14(7-9-16)10-24-20(29)17(11-27)25-21(30)18(12-28)26-33(31,32)13-15-4-2-1-3-5-15/h1-9,17-18,26-28H,10-13H2,(H3,22,23)(H,24,29)(H,25,30)/t17-,18+/m0/s1

InChIKey

ZNOKJHWJKULOGM-ZWKOTPCHSA-N

Chemical Structure

2D Structure

CAS: 600142-19-6

CID: 449051

Formula: C21H27N5O6S

MW: 477.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	477.5
XLogP3	-1.3
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	12
Exact Mass	477.16820477
Monoisotopic Mass	477.16820477
Topological Polar Surface Area	203 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	758
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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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TQ0058-01	MI-463
T69960-01	CJ-15161 hydrochloride

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HY-123191	CJ-463
HY-10797-01	CJ-42794
EHA42017-01	CJ-13610
MBS3616203-01	CJ 033466
TRC-C535800-10MG	CJ-023423
MBS5813739	CJ-887
sc-280646A	CJ-21058
HY-10050	CJ-17493
GTR19185658-01	CJ-2360

CJ-463

Chemical Information

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