VUF 8430 - Moligand™ , Agonist of H 4 receptor, CAS No.98021-17-1, Agonist of H 4 receptor

CAS: 98021-17-1 Cat. No.: V614821 PubChem CID: 3063228

GRADE & PURITY Moligand™

Synonyms

VUF8430 | VUF-8430 | 2-carbamimidamidoethylsulfanylmethanimidamide | ([2-[(Diaminomethylidene)amino]ethyl]sulfanyl)methanimidamide | NCGC00167743-01 | BDBM50419443 | GTPL1274 | S-(2-guanidylethyl)isothiourea | 2-(diaminomethylideneamino)ethyl carbamimidot

Storage

Room temperature

Specifications

Synonyms

VUF8430 | VUF-8430 | 2-carbamimidamidoethylsulfanylmethanimidamide | ([2-[(Diaminomethylidene)amino]ethyl]sulfanyl)methanimidamide | NCGC00167743-01 | BDBM50419443 | GTPL1274 | S-(2-guanidylethyl)isothiourea | 2-(diaminomethylideneamino)ethyl carbamimidot

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of H 4 receptor

Names and Identifiers

• Canonical Smiles: NC(=N)SCCN=C(N)N
• IUPAC Name: 2-(diaminomethylideneamino)ethylsulfanylmethanimidamide
• InChIKey: GSYGTVNTZHFQQH-UHFFFAOYSA-N
• INCHI: 1S/C4H11N5S/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H3,7,8)(H4,5,6,9)
• Isomeric SMILES: C(CSC(=N)N)N=C(N)N
• PubChem CID: 3063228

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Isothioureas

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Isothioureas
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isothioureas
• Alternative Parents: Guanidines Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Imines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Isothiourea - Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Imine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as isothioureas. These are organic compounds containing the isothiourea group, with the general structure R1SC(=NR2)N(R3)R4 (R1,R2,R3,R4=H, alkyl, aryl).
• 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)

HRH4 Tchem Histamine H4 receptor (6 Activities)

Discover Target: HRH4

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

HRH2 Tclin Histamine H2 receptor (5428 Activities)

Discover Target: HRH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HRH3 Tclin Histamine H3 receptor (10389 Activities)

Discover Target: HRH3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hrh4 Histamine H4 receptor (388 Activities)

Discover Target: Hrh4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 161.230 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 161.074 Da
• Monoisotopic Mass: 161.074 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 139.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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]