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Chemical structure of Dot1L-IN-4

GC62613

Dot1L-IN-4

Also known as 1-N-[(S)-(3-chloro-2-pyridinyl)-(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-2-N-(4-methoxy-6-piperazin-1-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzene-1,2-diamine

Dot1L-IN-4 is a potent disruptor of telomeric silencing 1-like protein (DOT1L) inhibitor with an IC50 SPA DOT1L of 0·11 nM

ChemicalCAS2565705-02-2MW661.08FormulaC28H27ClF2N8O5S
CAS number
2565705-02-2
Molecular weight
661.08
Formula
C28H27ClF2N8O5S
Solubility
DMSO ： 250 mg/mL (378·17 mM; Need ultrasonic)
InChIKey
QJIMSJUUARCROQ-QFIPXVFZSA-N
Catalogue number
GC62613
Brand
GLPBIO
Computed properties PubChem CID 145704695 · XLogP 4.5 · TPSA 161 Ų · H-bond donors 3
XLogP
4.5
TPSA
161 Ų
H-bond donors
3
H-bond acceptors
15
Rotatable bonds
9
Heavy atoms
45

SMILES COC1=NC(=NC(=N1)N2CCNCC2)NC3=C(C=CC(=C3)S(=O)(=O)C)N[C@@H](C4=C5C(=CC=C4)OC(O5)(F)F)C6=C(C=CC=N6)Cl

Computed descriptors from PubChem (CID 145704695), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
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