YTHDC1-IN-1

CAT: 0804-HY-158974-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-158974-04Size:50 mg

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Description

YTHDC1-IN-1 is a selective YTHDC1 inhibitor with a Kd of 49 nM and an IC50 of 0.35 μM. YTHDC1-IN-1 can inhibit the proliferation and induce apoptosis of acute myeloid leukemia cell lines. YTHDC1-IN-1 has anti-tumor activity[1].

CAS Number

2995344-53-9

UNSPSC

12352005

Target

Apoptosis; DNA/RNA Synthesis; PARP

Type

Reference compound

Related Pathways

Apoptosis; Cell Cycle/DNA Damage; Epigenetics

Applications

Cancer-programmed cell death

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/ythdc1-in-1.html

Purity

99.44

Solubility

DMSO : 25 mg/mL (ultrasonic; warming; heat to 60°C)

Smiles

CNC1=NC(Cl)=NC2=C(CC3=CC=CC(Cl)=C3)NN=C21

Molecular Formula

C13H11Cl2N5

Molecular Weight

308.17

References & Citations

[1]František Zálešák, et al. Structure-Based Design of a Potent and Selective YTHDC1 Ligand. J Med Chem. 2024 Jun 13;67 (11) :9516-9535.

Shipping Conditions

Blue Ice

Storage Conditions

-20°C, 3 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

Ythdc1-IN-1

CAS Number	2995344-53-9
PubChem CID	169449361
IUPAC Name	5-chloro-3-[(3-chlorophenyl)methyl]-N-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
Molecular Formula	C13H11Cl2N5
Molecular Weight	308.16
XLogP	3.8
Topological Polar Surface Area	66.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	332

SMILES

CNC1=NC(=NC2=C(NN=C21)CC3=CC(=CC=C3)Cl)Cl

InChI

InChI=1S/C13H11Cl2N5/c1-16-12-11-10(17-13(15)18-12)9(19-20-11)6-7-3-2-4-8(14)5-7/h2-5H,6H2,1H3,(H,19,20)(H,16,17,18)

InChIKey

ULSNLRVQBCXMSH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2995344-53-9

CID: 169449361

Formula: C13H11Cl2N5

MW: 308.16

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	308.16
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	307.0391508
Monoisotopic Mass	307.0391508
Topological Polar Surface Area	66.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	332
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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T88542-01	YTHDC1-IN-1
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581778-01	YTHDC1 (FITC)
581777-01	YTHDC1 (Biotin)

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Chemical Information

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