ML-323

CAT: 0931-T1757-05Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T1757-05Size:25 mg

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

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CAS Number

1572414-83-5

Target

DUB

Related Pathways

Ubiquitination, Cell Cycle/Checkpoint, DNA Damage/DNA Repair

Purity

0.9996

Bioactivity

ML323 is a reversible and effective USP1-UAF1 inhibitor in a Ub-Rho assay (IC50: 76 nM) and in orthogonal gel-based assays using K63-linked diubiquitin (di-Ub) (IC50: 174 nM 820 nM) and monoubiquitinated PCNA (Ub-PCNA) (IC50: 820 nM) as substrates, respectively.

Smiles

CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1

Molecular Formula

C23H24N6

Molecular Weight

384.48

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

ML323

CAS Number	1572414-83-5
PubChem CID	60167849
IUPAC Name	5-methyl-2-(2-propan-2-ylphenyl)-N-[[4-(triazol-1-yl)phenyl]methyl]pyrimidin-4-amine
Molecular Formula	C23H24N6
Molecular Weight	384.5
XLogP	4.6
Topological Polar Surface Area	68.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	29
Formal Charge	0
Complexity	492

SMILES

CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C

InChI

InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)

InChIKey

VUIRVWPJNKZOSS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1572414-83-5

CID: 60167849

Formula: C23H24N6

MW: 384.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	384.5
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	384.20624479
Monoisotopic Mass	384.20624479
Topological Polar Surface Area	68.5 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	492
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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T70491-01	XM 323
T68139-01	Scio-323
T24008-01	DMP 323
T208632-01	Cy3-Ova (323-339)
T78000	OVA Peptide (323-339)
T208578-01	FITC-OVA (323-339)
TP1339-01	OVA Peptide 323-339
TP1612-01	OVA sequence (323-336)
TMPH-04616-01	LDHA Protein, Human, Recombinant (aa 5-323, His)
TMPH-00998-01	EMMPRIN/CD147 Protein, Human, Recombinant (aa 138-323, hFc)

Alternative Products

Catalog	Name
B1317-25	ML-323
BM166458-01	ML 323
A14030-100	ML-323 100mg
A14030-50	ML-323 50mg
A14030-10	ML-323 10mg
A14030-1	ML-323 1mg
A14030-25	ML-323 25mg
A14030-5	ML-323 5mg
TBI1560-5MG	ML-323, USP1-UAF1 inhibitor
A14030-10mM-D	ML-323 10mM * 1mL in DMSO

ML-323

Chemical Information

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