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SEC

CAT: 0804-HY-125355-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-125355-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SEC induces activation of ANXA7 GTPase via the AMPK/mTORC1/STAT3 signaling pathway. SEC selectively promotes apoptosis in cancer cells, expressing a high level of ITGB4 by inducing ITGB4 nuclear translocation[1][2].
CAS Number
1802997-81-4
UNSPSC
12352005
Target
Annexin A; Apoptosis
Type
Reference compound
Related Pathways
Apoptosis; Cytoskeleton
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/sec.html
Concentration
10mM
Purity
98.26
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(OCC)C1=CC(C2=CC=C(C=C2)OC)=NN1C[C@@H](COC3=CC=C(C=C3)Cl)O
Molecular Formula
C22H23ClN2O5
Molecular Weight
430.88
References & Citations
[1]ShuYan Liu, et al. SEC-induced Activation of ANXA7 GTPase Suppresses Prostate Cancer Metastasis. Cancer Lett. 2018 Mar 1;416:11-23.|[2]ShuYan Liu, et al. A small molecule induces integrin β4 nuclear translocation and apoptosis selectively in cancer cells with high expression of integrin β4. Oncotarget. 2016 Mar 29; 7 (13) : 16282–16296.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

ethyl 1-[(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]-3-(4-methoxyphenyl)pyrazole-5-carboxylate
CAS Number1802997-81-4
PubChem CID146681186
IUPAC Nameethyl 1-[(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]-3-(4-methoxyphenyl)pyrazole-5-carboxylate
Molecular FormulaC22H23ClN2O5
Molecular Weight430.9
XLogP4
Topological Polar Surface Area82.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity524
SMILES
CCOC(=O)C1=CC(=NN1C[C@@H](COC2=CC=C(C=C2)Cl)O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H23ClN2O5/c1-3-29-22(27)21-12-20(15-4-8-18(28-2)9-5-15)24-25(21)13-17(26)14-30-19-10-6-16(23)7-11-19/h4-12,17,26H,3,13-14H2,1-2H3/t17-/m0/s1
InChIKey
OFKGGSVHXHMDDN-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of ethyl 1-[(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]-3-(4-methoxyphenyl)pyrazole-5-carboxylate
CAS: 1802997-81-4
CID: 146681186
Formula: C22H23ClN2O5
MW: 430.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.9
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass430.1295495
Monoisotopic Mass430.1295495
Topological Polar Surface Area82.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity524
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

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