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Chemical structure of MT1

GC61097

MT1

Also known as 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide

MT1 is a bivalent chemical probe of BET bromodomains, with an IC50 of 0·789 nM for BRD4(1)

ChemicalCAS2060573-82-0MW1134.2FormulaC54H66Cl2N10O9S2
CAS number
2060573-82-0
Molecular weight
1134.2
Formula
C54H66Cl2N10O9S2
Solubility
DMSO： 150 mg/mL (132·25 mM); Water： ＜ 0·1 mg/mL (insoluble)
InChIKey
JNSLBXJNVHYNNW-CXNSMIOJSA-N
Catalogue number
GC61097
Brand
GLPBIO
Computed properties PubChem CID 122172644 · XLogP 5.3 · TPSA 265 Ų · H-bond donors 2
XLogP
5.3
TPSA
265 Ų
H-bond donors
2
H-bond acceptors
17
Rotatable bonds
30
Heavy atoms
77

SMILES CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@H]4C5=NN=C(N5C6=C(C(=C(S6)C)C)C(=N4)C7=CC=C(C=C7)Cl)C)C8=CC=C(C=C8)Cl)C

Computed descriptors from PubChem (CID 122172644), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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