IRC-083864

CAT: 0013-GTR19199120-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19199120-01Size:25 mg

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Description

IRC-083864 is a novel bis quinone compound that potently inhibits CDC25 phosphatase activity. This small molecule inhibitor is utilized in cancer research to study cell cycle disruption and has demonstrated anti-proliferative effects in both in vitro and in vivo experimental models.

CAS Number

1142057-18-8

Field of Research

Metabolism Research

Smiles

CN (CCCNC1=CC (=O) c2sc (C) nc2C1=O) CCCNC1=CC (=O) c2nc (oc2C1=O) -c1cc (F) ccc1F

Molecular Formula

C28H25F2N5O5S

Molecular Weight

581.59

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Irc-083864

CAS Number	1142057-18-8
PubChem CID	24771376
IUPAC Name	2-(2,5-difluorophenyl)-6-[3-[methyl-[3-[(2-methyl-4,7-dioxo-1,3-benzothiazol-5-yl)amino]propyl]amino]propylamino]-1,3-benzoxazole-4,7-dione
Molecular Formula	C28H25F2N5O5S
Molecular Weight	581.6
XLogP	4.9
Topological Polar Surface Area	163
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	11
Heavy Atom Count	41
Formal Charge	0
Complexity	1120

SMILES

CC1=NC2=C(S1)C(=O)C=C(C2=O)NCCCN(C)CCCNC3=CC(=O)C4=C(C3=O)OC(=N4)C5=C(C=CC(=C5)F)F

InChI

InChI=1S/C28H25F2N5O5S/c1-14-33-23-24(38)18(13-21(37)27(23)41-14)31-7-3-9-35(2)10-4-8-32-19-12-20(36)22-26(25(19)39)40-28(34-22)16-11-15(29)5-6-17(16)30/h5-6,11-13,31-32H,3-4,7-10H2,1-2H3

InChIKey

GAKKGSMRAKEWDN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1142057-18-8

CID: 24771376

Formula: C28H25F2N5O5S

MW: 581.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	581.6
XLogP3	4.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	11
Exact Mass	581.15444641
Monoisotopic Mass	581.15444641
Topological Polar Surface Area	163 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	1120
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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