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AQ-101

CAT: 0013-GTR19208495-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208495-01Size:25 mg
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Description
AQ-101 is a small molecule MDM2 inhibitor that induces the degradation of MDM2 protein via self-ubiquitination and proteasomal pathways. It is utilized in cancer research to study p53 reactivation and has demonstrated activity in both cellular and animal models of tumorigenesis.
CAS Number
1353384-61-8
Smiles
O=C1C=2C (C (=O) C=3C1=C (O) C=CC3) =CC (NC (CCl) =O) =CC2O
Molecular Formula
C16H10ClNO5
Molecular Weight
331.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,8-Dihydroxy-3-(2'-chloro-acetamido)-anthraquinone
CAS Number1353384-61-8
PubChem CID56839171
IUPAC Name2-chloro-N-(4,5-dihydroxy-9,10-dioxoanthracen-2-yl)acetamide
Molecular FormulaC16H10ClNO5
Molecular Weight331.70
XLogP2.5
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity525
SMILES
C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)NC(=O)CCl
InChI
InChI=1S/C16H10ClNO5/c17-6-12(21)18-7-4-9-14(11(20)5-7)16(23)13-8(15(9)22)2-1-3-10(13)19/h1-5,19-20H,6H2,(H,18,21)
InChIKey
FVBACBMWEZTDOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,8-Dihydroxy-3-(2'-chloro-acetamido)-anthraquinone
CAS: 1353384-61-8
CID: 56839171
Formula: C16H10ClNO5
MW: 331.70
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight331.70
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass331.0247501
Monoisotopic Mass331.0247501
Topological Polar Surface Area104 Ų
Heavy Atom Count23
Formal Charge0
Complexity525
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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