UM-9 - Moligand™ , Inhibitor of TPC2, CAS No.101311-04-0, Inhibitor of TPC2

CAS: 101311-04-0 Cat. No.: U614658 PubChem CID: 127790

GRADE & PURITY Moligand™

Synonyms

DivK1c_006984 | DTXSID60143841 | 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(3-hydroxy-2,4-dimethoxyphenyl)-8-methoxy-, (R)- | Spectrum5_000323 | 7,3'-Dihydroxy-2',4',8-trimethoxyisoflavan | KBioGR_001943 | GLXC-25963 | SpecPlus_000888 | KBio2_001290 | Spectrum_

Storage

Room temperature

Specifications

Synonyms

DivK1c_006984 | DTXSID60143841 | 2H-1-Benzopyran-7-ol, 3, 4-dihydro-3-(3-hydroxy-2, 4-dimethoxyphenyl)-8-methoxy-, (R)- | Spectrum5_000323 | 7, 3'-Dihydroxy-2', 4', 8-trimethoxyisoflavan | KBioGR_001943 | GLXC-25963 | SpecPlus_000888 | KBio2_001290 | Spectrum_

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of TPC2

Names and Identifiers

• Canonical Smiles: COc1c(O)c(OC)c(cc1)[C@@H]1COc2c(C1)ccc(O)c2OC
• IUPAC Name: (3R)-3-(3-hydroxy-2,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol
• InChIKey: QVVPJFBYFYYVDM-NSHDSACASA-N
• INCHI: 1S/C18H20O6/c1-21-14-7-5-12(17(22-2)15(14)20)11-8-10-4-6-13(19)18(23-3)16(10)24-9-11/h4-7,11,19-20H,8-9H2,1-3H3/t11-/m0/s1
• Isomeric SMILES: COC1=C(C(=C(C=C1)[C@H]2CC3=C(C(=C(C=C3)O)OC)OC2)OC)O
• PubChem CID: 127790

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Isoflavonoids
      • Subclass O-methylated isoflavonoids
        • Level5 4'-O-methylated isoflavonoids
          • Level6 3'-hydroxy,4'-methoxyisoflavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Isoflavonoids
• Subclass: O-methylated isoflavonoids
• Intermediate Tree Nodes: 4'-O-methylated isoflavonoids
• Direct Parent: 3'-hydroxy,4'-methoxyisoflavonoids
• Alternative Parents: 8-O-methylated isoflavonoids 2'-O-methylated isoflavonoids Isoflavanols Hydroxyisoflavonoids Methoxyphenols Dimethoxybenzenes 1-benzopyrans Phenoxy compounds Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3'-hydroxy,4'-methoxyisoflavonoid - 2p-methoxyisoflavonoid-skeleton - 8-methoxyisoflavonoid-skeleton - Hydroxyisoflavonoid - Isoflavanol - Isoflavan - Chromane - Benzopyran - Methoxyphenol - M-dimethoxybenzene - Dimethoxybenzene - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Oxacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 3'-hydroxy,4'-methoxyisoflavonoids. These are isoflavonoids carrying a methoxy group attached to the C4' atom, as well as a hydroxyl group at the C3'-position of the isoflavonoid backbone.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TPCN2 Tchem Two pore calcium channel protein 2 (0 Activities)

Discover Target: TPCN2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

References

1. Zhengyue Li, Xiuying Sun, Xiuqiong Chen, Hongcai Wang, Dongze Li, Ting Shang, Linxin Qi, Huiqiong Yan, Qiang Lin.  (2023)  Effects of TiO2 nanoparticles on the physicochemical and biological properties of oxidized sodium alginate/polyacrylamide-gelatin composite hydrogels fabricated by interpenetrating network approach.  REACTIVE & FUNCTIONAL POLYMERS,      [PMID:] [10.1016/j.reactfunctpolym.2023.105679]

2. Li Dongze, Liao Yuqing, Chen Xiuqiong, Wang Hongcai, Wen Yanshi, Cheng Kaiyue, Chen Weiwei, Yan Huiqiong, Lin Qiang.  (2022)  Preparation and properties of homogeneous oxidized sodium alginate/silica/polyacrylamide–gelatin composite hydrogel based on interpenetrating network technology.  POLYMER BULLETIN,  80  (11): (11899-11917).  [PMID:] [10.1007/s00289-022-04631-2]

3. Juxin Pei, Jun Mei, Gan Wu, Huijie Yu, Jing Xie.  (2022)  Gum tragacanth-sodium alginate active coatings containing epigallocatechin gallate reduce hydrogen peroxide content and inhibit lipid and protein oxidations of large yellow croaker (Larimichthys crocea) during superchilling storage.  FOOD CHEMISTRY,      [PMID:35917785] [10.1016/j.foodchem.2022.133792]

4. Yuqi Zheng, Keyan Zhang, Yueming Yao, Xiaoran Li, Jianyong Yu, Bin Ding.  (2021)  Bioinspired sequentially crosslinked nanofibrous hydrogels with robust adhesive and stretchable capability for joint wound dressing.  COMPOSITES COMMUNICATIONS,      [PMID:] [10.1016/j.coco.2021.100785]

5. Junji Zhao, Xueyan Qiu, Xiaomei Liu, Xie Ye, Hongran Xiong, Yan Liang, Ziqiang Lei.  (2021)  Preparation and anti-evaporation properties of organic–inorganic superabsorbent based on Tragacanth gum and clay.  JOURNAL OF APPLIED POLYMER SCIENCE,  138  (32): (50777).  [PMID:] [10.1002/app.50777]

6. Shiqi Mei, Fan Wang, Xinglong Hu, Kong Yang, Dong Xie, Lili Yang, Zhaoying Wu, Jie Wei.  (2020)  Construction of a hierarchical micro & nanoporous surface for loading genistein on the composite of polyetheretherketone/tantalum pentoxide possessing antibacterial activity and accelerated osteointegration.  Biomaterials Science,  9  (1): (167-185).  [PMID:33165465] [10.1039/D0BM01306D]

7. Yu-Xia Wang, Wei-Chao Su, Qin Wang, Yu-Feng Lin, Yuan Zhou, Long-Fang Lin, Su Ren, Yan-Ting Li, Qing-Xi Chen, Yan Shi.  (2019)  Antityrosinase and antioxidant activities of guanidine compounds and effect of guanylthiourea on melanogenesis.  PROCESS BIOCHEMISTRY,      [PMID:] [10.1016/j.procbio.2019.07.003]

8. Ying Li, Rida Javed, Rui Li, Yuyang Zhang, Ziyue Lang, Hongbin Zhao, Xing Liu, Hongmei Cao, Daixin Ye.  (2022)  A colorimetric smartphone-based sensor for on-site AA detection in tropical fruits using Fe-P/NC single-atom nanoenzyme.  FOOD CHEMISTRY,      [PMID:36446276] [10.1016/j.foodchem.2022.135017]