Agmatine Sulfate - 10mM in Water , CAS No.2482-00-0

CAS: 2482-00-0 Cat. No.: A422852 Molecular Weight: 228.27 Beilstein Registry Number: 3918807 EC Number: 219-617-3

GRADE & PURITY 10mM in Water

Synonyms

1-(4-Aminobutyl)guanidine sulfate(Chunks or pellets) | AS-15375 | SR-01000075244-1 | (4-Aminobutyl)guanidine sulfate | AI3-51851 | (4-Aminobutyl)guanidinium sulphate | NIH-11035 | A 7127 | SY033517 | 4-Guanidinobutylamine sulphate salt | FT-0600398 | Guan

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

1-(4-Aminobutyl)guanidine sulfate(Chunks or pellets) | AS-15375 | SR-01000075244-1 | (4-Aminobutyl)guanidine sulfate | AI3-51851 | (4-Aminobutyl)guanidinium sulphate | NIH-11035 | A 7127 | SY033517 | 4-Guanidinobutylamine sulphate salt | FT-0600398 | Guan

Specifications & Purity

10mM in Water

Biochemical and Physiological Mechanisms

Putative endogenous neurotransmitter at imidazoline receptors; displaces clonidine at α2-adrenergic and at imidazoline receptors; blocks NMDA-activated ion channels in hippocampal neurons.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C(CCN=C(N)N)CN.OS(=O)(=O)O
• IUPAC Name: 2-(4-aminobutyl)guanidine;sulfuric acid
• InChIKey: PTAYFGHRDOMJGC-UHFFFAOYSA-N
• INCHI: 1S/C5H14N4.H2O4S/c6-3-1-2-4-9-5(7)8;1-5(2,3)4/h1-4,6H2,(H4,7,8,9);(H2,1,2,3,4)
• Isomeric SMILES: C(CCN=C(N)N)CN.OS(=O)(=O)O
• WGK Germany: 3
• Molecular Weight: 228.27
• Beilstein: 3918807
• Reaxy-Rn: 19474094
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19474094&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfuric acids and derivatives
      • Subclass Organic sulfuric acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfuric acids and derivatives
• Subclass: Organic sulfuric acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic sulfuric acids
• Alternative Parents: Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfuric acid - Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic sulfuric acids. These are organic compounds containing the sulfuric acid functional group, with the generic structure HOS(=O)(=O)OH.
• 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)

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

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

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 234-238°C
• Molecular Weight: 228.270 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 228.089 Da
• Monoisotopic Mass: 228.089 Da
• Topological Polar Surface Area: 173.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 166.000
• 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: 2

XLogP3

References

1. Hongjie Hui, Yajun Bai, Tai-Ping Fan, Xiaohui Zheng, Yujie Cai.  (2020)  Biosynthesis of Putrescine from L-arginine Using Engineered Escherichia coli Whole Cells.  Catalysts,  10  (9): (947).  [PMID:] [10.3390/catal10090947]

2. Salman Riaz, Min Liu, Zhenwu Zhong, Hongyu Mi, Weizhi Zheng, Yi Xiao, Ying Qi, Muhammad Salik Qureshi, Shayan Umar, Yahong Xie.  (2024)  Enhancing efficiency and stability in carbon-based perovskite solar cells through dual-interface modification.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2024.236133]