MedKoo Cat#: 555037 | Name: Dot1L-IN-4
Featured New

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Dot1L-IN-4 is a potent disruptor of telomeric silencing 1-like protein (DOT1L) inhibitor. This molecule was first reported in ACS Medicinal Chemistry Letters (2019), 10(12), 1655-1660. This product has no formal name at the moment. For the convenience of communication, a temporal code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Chemical Structure

Dot1L-IN-4
Dot1L-IN-4
CAS#2565705-02-2

Theoretical Analysis

MedKoo Cat#: 555037

Name: Dot1L-IN-4

CAS#: 2565705-02-2

Chemical Formula: C28H27ClF2N8O5S

Exact Mass: 660.1482

Molecular Weight: 661.08

Elemental Analysis: C, 50.87; H, 4.12; Cl, 5.36; F, 5.75; N, 16.95; O, 12.10; S, 4.85

Price and Availability

Size Price Availability Quantity
100mg USD 1,050.00 2 Weeks
200mg USD 1,850.00 2 Weeks
500mg USD 2,850.00 2 Weeks
1g USD 3,850.00 2 Weeks
2g USD 5,950.00 2 Weeks
Bulk Inquiry
Buy Now
Add to Cart
Related CAS #
No Data
Synonym
Dot1L-IN-4; Dot1L-IN 4; Dot1L IN-4; Dot1L IN 4
IUPAC/Chemical Name
1,2-Benzenediamine, N1-[(S)-(3-chloro-2-pyridinyl)(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-N2-[4-methoxy-6-(1-piperazinyl)-1,3,5-triazin-2-yl]-4-(methylsulfonyl)-
InChi Key
QJIMSJUUARCROQ-QFIPXVFZSA-N
InChi Code
InChI=1S/C28H27ClF2N8O5S/c1-42-27-37-25(36-26(38-27)39-13-11-32-12-14-39)35-20-15-16(45(2,40)41)8-9-19(20)34-22(23-18(29)6-4-10-33-23)17-5-3-7-21-24(17)44-28(30,31)43-21/h3-10,15,22,32,34H,11-14H2,1-2H3,(H,35,36,37,38)/t22-/m0/s1
SMILES Code
O=S(C1=CC=C(N[C@H](C2=NC=CC=C2Cl)C3=C4OC(F)(F)OC4=CC=C3)C(NC5=NC(OC)=NC(N6CCNCC6)=N5)=C1)(C)=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 661.08 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
New Potent DOT1L Inhibitors for in Vivo Evaluation in Mouse Frédéric Stauffer, Andreas Weiss, Clemens Scheufler, Henrik Möbitz, Christian Ragot, Kim S. Beyer, Keith Calkins, Daniel Guthy, Michael Kiffe, Bernard Van Eerdenbrugh, Ralph Tiedt, and Christoph Gaul ACS Medicinal Chemistry Letters 2019 10 (12), 1655-1660 DOI: 10.1021/acsmedchemlett.9b00452