Products for Research Use Only
RegisterLogin

MZ1

CAT: 0013-GTR19251168-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19251168-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
BRD4 degrader
CAS Number
1797406-69-9
Field of Research
Epigenetics & Chromatin, Protein Biochemistry
Purity
>98%
Form
Powder
Solubility
Soluble in DMSO (up to at least 100 mg/ml)
Molecular Formula
C49H60ClN9O8S2
Molecular Weight
1002.6
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
(2S,4R) -1- ((S) -2- (tert-Butyl) -17- ((S) -4- (4-chlorophenyl) -2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl) -4,16-dioxo-6,9,12-trioxa-3,15-diazaheptadecan-1-oyl) -4-hydroxy-N- (4- (4-methylthiazol-5-yl) benzyl) pyrrolidine-2-carboxamide

Chemical Information

(2S,4R)-1-[(2S)-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]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

MZ1 is an organic molecular entity.

CAS Number1797406-69-9
PubChem CID122201421
IUPAC Name(2S,4R)-1-[(2S)-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]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular FormulaC49H60ClN9O8S2
Molecular Weight1002.6
XLogP5
Topological Polar Surface Area268
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count21
Heavy Atom Count69
Formal Charge0
Complexity1750
SMILES
CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)NCC5=CC=C(C=C5)C6=C(N=CS6)C)O)C(C)(C)C)C7=CC=C(C=C7)Cl)C
InChI
InChI=1S/C49H60ClN9O8S2/c1-28-30(3)69-48-41(28)42(33-12-14-35(50)15-13-33)54-37(45-57-56-31(4)59(45)48)23-39(61)51-16-17-65-18-19-66-20-21-67-26-40(62)55-44(49(5,6)7)47(64)58-25-36(60)22-38(58)46(63)52-24-32-8-10-34(11-9-32)43-29(2)53-27-68-43/h8-15,27,36-38,44,60H,16-26H2,1-7H3,(H,51,61)(H,52,63)(H,55,62)/t36-,37+,38+,44-/m1/s1
InChIKey
PTAMRJLIOCHJMQ-PYNGZGNASA-N
Chemical Structure
2D Structure
2D structure of (2S,4R)-1-[(2S)-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]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CAS: 1797406-69-9
CID: 122201421
Formula: C49H60ClN9O8S2
MW: 1002.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1002.6
XLogP35
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count21
Exact Mass1001.3694799
Monoisotopic Mass1001.3694799
Topological Polar Surface Area268 Ų
Heavy Atom Count69
Formal Charge0
Complexity1750
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
303-150Riboclear (RNA Cleanup)
TBS10485-100Tribio InVivoMAb Anti-Mouse TIGIT & PD-L1 Bispecific Antibody
TBS10191-1mgTetrahydrocannabinol (THC) Monoclonal Antibody
TBI3024-25MGAc-Leu-Leu-Nle-CHO (ALLN), Calpain inhibitor
122-101ExgeneTM Forensic SV mini
TBS10483-100Tribio InVivoMAb Anti-Mouse PD-L1 & CD28 Bispecific Antibody
TBS10183-1mgMonoclonal Anti-Thyroid Stimulating Hormone (TSH) Antibody
TBS10340-0.5MGInVivo Mouse IgG1 Isotype Control Antibody
121-220Exfection Plasmid EF (Exdotoxin Free, Midi)
TBS10482-100Tribio InVivoMAb Anti-Mouse PD-L1 & OX40 Bispecific Antibody

Popular Products