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MIR002

CAT: 0013-GTR19185652-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185652-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MIR002 is an orally bioavailable small molecule that dually inhibits POLA1 and HDAC11, demonstrating potent in vivo antitumor efficacy. Its mechanism involves inducing p53 acetylation and p21 expression, leading to G1/S cell cycle arrest and apoptosis in cancer cells, making it a valuable tool for oncology and epigenetics research.
CAS Number
2217671-64-0
Field of Research
Cell Biology, Epigenetics & Chromatin, Molecular Biology
Smiles
O (CC (NO) =O) C1=C (C23CC4CC (C2) CC (C3) C4) C=C (C=C1) C5=CC=C (/C=C/C (O) =O) C=C5
Molecular Formula
C27H29NO5
Molecular Weight
447.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(E)-3-[4-[3-(1-adamantyl)-4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]phenyl]prop-2-enoic acid
CAS Number2217671-64-0
PubChem CID153307897
IUPAC Name(E)-3-[4-[3-(1-adamantyl)-4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]phenyl]prop-2-enoic acid
Molecular FormulaC27H29NO5
Molecular Weight447.5
XLogP5.7
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity714
SMILES
C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC=C(C=C5)/C=C/C(=O)O)OCC(=O)NO
InChI
InChI=1S/C27H29NO5/c29-25(28-32)16-33-24-7-6-22(21-4-1-17(2-5-21)3-8-26(30)31)12-23(24)27-13-18-9-19(14-27)11-20(10-18)15-27/h1-8,12,18-20,32H,9-11,13-16H2,(H,28,29)(H,30,31)/b8-3+
InChIKey
YJMADWAPLKRSFA-FPYGCLRLSA-N
Chemical Structure
2D Structure
2D structure of (E)-3-[4-[3-(1-adamantyl)-4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]phenyl]prop-2-enoic acid
CAS: 2217671-64-0
CID: 153307897
Formula: C27H29NO5
MW: 447.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.5
XLogP35.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass447.20457303
Monoisotopic Mass447.20457303
Topological Polar Surface Area95.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity714
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T62917-01MIR002
A24021-100MIR002 100mg
A24021-50MIR002 50mg
A24021-10MIR002 10mg
A24021-5MIR002 5mg

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