Products for Research Use Only
RegisterLogin

MDM2-p53-IN-20

CAT: 0804-HY-161041Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-161041Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
MDM2-p53-IN-20 (Compd B-11j) is a synthetic MDM2-p53 interaction inhibitor that play an important role in cancer[1].
CAS Number
2095120-09-3
UNSPSC
12352005
Target
MDM-2/p53
Type
Reference compound
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mdm2-p53-in-20.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=C(C(C)=C(C=C1)C(OC)=O)[N+]([O-])=O)C[C@H]2[C@@H]([N+]([O-])=O)[C@H](C3=C(C(Cl)=CC=C3)F)[C@@]4(C5=CC=C(Cl)C=C5NC4=O)N2CC6CC6
Molecular Formula
C32H27Cl2FN4O8
Molecular Weight
685.48
References & Citations
[1]Gollner Andreas, et al. Preparation of spiroindolepyrrolidinone derivatives for use as MDM2-p53 inhibitors. World Intellectual Property Organization, WO2017060431 A1 2017-04-13
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

MDM2-p53-IN-20
CAS Number2095120-09-3
PubChem CID129264088
IUPAC Namemethyl 4-[2-[(2'S,3S,3'S,4'S)-6-chloro-4'-(3-chloro-2-fluorophenyl)-1'-(cyclopropylmethyl)-3'-nitro-2-oxospiro[1H-indole-3,5'-pyrrolidine]-2'-yl]acetyl]-2-methyl-3-nitrobenzoate
Molecular FormulaC32H27Cl2FN4O8
Molecular Weight685.5
XLogP5.6
Topological Polar Surface Area167
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count47
Formal Charge0
Complexity1280
SMILES
CC1=C(C=CC(=C1[N+](=O)[O-])C(=O)C[C@H]2[C@H]([C@@H]([C@]3(N2CC4CC4)C5=C(C=C(C=C5)Cl)NC3=O)C6=C(C(=CC=C6)Cl)F)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C32H27Cl2FN4O8/c1-15-18(30(41)47-2)9-10-19(28(15)38(43)44)25(40)13-24-29(39(45)46)26(20-4-3-5-22(34)27(20)35)32(37(24)14-16-6-7-16)21-11-8-17(33)12-23(21)36-31(32)42/h3-5,8-12,16,24,26,29H,6-7,13-14H2,1-2H3,(H,36,42)/t24-,26-,29+,32+/m0/s1
InChIKey
DPBSJCGSPDYHAN-CEWIPMDDSA-N
Chemical Structure
2D Structure
2D structure of MDM2-p53-IN-20
CAS: 2095120-09-3
CID: 129264088
Formula: C32H27Cl2FN4O8
MW: 685.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight685.5
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass684.1189974
Monoisotopic Mass684.1189974
Topological Polar Surface Area167 Ų
Heavy Atom Count47
Formal Charge0
Complexity1280
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

Related Products

CatalogName
HY-163661P53-MDM2-IN-5
HY-121893-01P53-MDM2-IN-3
HY-151172MDM2-p53-IN-15
HY-161040MDM2-p53-IN-19
HY-148833-01MDM2-p53-IN-16
HY-161039MDM2-p53-IN-18
HY-116052-01P53-MDM2-IN-2
HY-162927P53-MDM2-IN-6
HY-W340313-01P53-MDM2-IN-4
HY-W340839-01P53-MDM2-IN-1

Alternative Products

CatalogName
GTR19234988-01MDM2-p53-IN-20
BA3476-10p53-MDM2-IN-1
BA3473-5MDM2-p53-IN-16
T86876-01MDM2-p53-IN-18
GTR19261866-01P53-MDM2-IN-2
T88309-01P53-MDM2-IN-5
MBS5774192MDM2-p53-IN-1b
T200473-01P53-MDM2-IN-6
A9903-1p53/MDM2 Set I
T67698-01P53-Mdm2 inhibitor 4

Popular Products