Products for Research Use Only
RegisterLogin

MS-417

CAT: 1410-M16583-07Size: 200 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1410-M16583-07Size:200 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
MS-417 (GTPL-7512) is a highly specific BET bromodomain inhibitor that binds to BRD4-BD1 and BRD4 BD2 with Kd of 36.1 uM and 25.4 uM respectively.
CAS Number
916489-36-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
414.908
Molecular Formula
C20H19ClN4O2S
Notes
Research use only, not for human use.
Receptor
Bromodomain

Chemical Information

MS417

MS-417 is a member of the class of thienotriazolodiazepines that is the methyl ester of [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid. A bromodomain and extra-terminal domain (BET)-specific inhibitor that belongs to a group of thienodiazepine-based compounds. It is a methyl ester, a member of monochlorobenzenes and a thienotriazolodiazepine. It is an enantiomer of a MS-566.

CAS Number916489-36-6
PubChem CID59190723
IUPAC Namemethyl 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]acetate
Molecular FormulaC20H19ClN4O2S
Molecular Weight414.9
XLogP3.9
Topological Polar Surface Area97.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity627
SMILES
CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC)C4=CC=C(C=C4)Cl)C
InChI
InChI=1S/C20H19ClN4O2S/c1-10-11(2)28-20-17(10)18(13-5-7-14(21)8-6-13)22-15(9-16(26)27-4)19-24-23-12(3)25(19)20/h5-8,15H,9H2,1-4H3/t15-/m0/s1
InChIKey
GGRCIHACOIMRKY-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of MS417
CAS: 916489-36-6
CID: 59190723
Formula: C20H19ClN4O2S
MW: 414.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.9
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass414.0917247
Monoisotopic Mass414.0917247
Topological Polar Surface Area97.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity627
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
M13201-01MS-453
M12552-01MS-402
M33436-01MS-444
M12819-01MS-023
M12091-01MS-049
M34916-01MS 15203
M13214MS-377
M35273-01MS-PPOH
M42041P62 (417 - 429), M. leprae
M28205-01MS-PEG4-THP

Alternative Products

CatalogName
MBS3606577-01MS-417
GTR19224285-01SLUPP-417
HY-153916-01TCRS-417
110067Hsp-417
573024Ms-PEG8-Ms
HY-42774-01Ms-PEG4-MS
HY-138324Ms-PEG6-MS
MD176176-3MS-PEG3-MS
HY-140382-01Ms-PEG2-MS
T16151-01Ms-PEG7-Ms

Popular Products