UCSF

ZINC01532560

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 9 Yes

Popular Name: Agmatine sulfate Agmatine sulfate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2482-00-0 , 306-60-5 , 334-18-9 , [2482-00-0] , [334-18-9]

Other Names:

(4-Aminobutyl) guanidine; 306-60-5; Agmatine; C00179

(4-aminobutyl)-Guanidine; (4-Aminobutyl)guanidine; 1-(4-Aminobutyl)guanidine; 1-Amino-4-guanidinobutane; 1-Amino-4-guanidobutane; 4-Guanidino-1-butanamine; Agmatine; Argmatine; N-(4-Aminobutyl)guanidine; N-(aminoiminomethyl)-1,4-Butanediamine; N-4-Aminobu

(4-aminobutyl)-Guanidine;(4-Aminobutyl)guanidine;1-(4-Aminobutyl)guanidine;1-Amino-4-guanidinobutane;1-Amino-4-guanidobutane;4-Guanidino-1-butanamine;Agmatine;Argmatine;N-(4-Aminobutyl)guanidine;N-(Aminoiminomethyl)-1,4-Butanediamine;N-4-Aminobutylguanidi

(4-Aminobutyl)guanidine; 1,4-Butanediamine, N-(aminoiminomethyl)-; 1-(4-Aminobutyl)guanidine; 1-Amino-4-guanidobutane; Agmatine; Argmatine; EINECS 206-187-7; Guanidine, (4-aminobutyl)- (8CI); LS-73214; N-4-Aminobutylguanidine; NSC 56332

(4-aminobutyl)guanidinium sulphate

(4-Aminobutyl)guanidinium sulphate; AI3-51851; Agmatine sulfate; EINECS 219-617-3; Guanidine, (4-aminobutyl)-, sulfate (1:1); LS-183207

1-(4-aminobutyl)guanidine

1-(4-Aminobutyl)guanidine dihydrochloride

1-(4-Aminobutyl)guanidine sulfate

1-(4-aminobutyl)guanidine; sulfuric acid

1-Amino-4-guanidinobutane dihydrochloride

1-Amino-4-guanidinobutane sulfate

1-Amino-4-guanidinobutane sulfate salt

1-Amino-4-guanidinobutane sulfate salt, 97%

2482-00-0; Agmatine sulfate; Prestwick_710

306-60-5; AGMATHINE; agmatine

4-(Aminobutyl)guanidine sulfate

Agmatine

Agmatine dihydrochloride

AGMATINE HCL

Agmatine sulfate, 97%

Agmatine sulphate

agmatine; agmatinium; agmatinium dication

Agmatinedihydrochloride

Agmatinesulfate

Agmatinium

agmatinium(2+)

CHEBI:40556; CHEBI:2514; CHEBI:18576; CHEBI:13747

MFCD00013109

MFCD00871713

MFCD11053502

MFCD20230526

N-(4-aminobutyl)guanidine

SS-0250

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.48 -0.4 -86.6 8 4 2 91 132.211 5 ↓
Hi High (pH 8-9.5) 1.82 5.71 -23.18 0 6 0 60 276.271 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 231-238? Alfa-Aesar
MP 236 - 238 Enamine Building Blocks
MP 236...238 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
UniProt Database Links AAXB_CHLAB; AAXB_CHLCV; AAXB_CHLFF; AAXB_CHLMU; AAXB_CHLPN; AAXB_CHLT2; AAXB_CHLTA; AAXB_CHLTB; AAXB_CHLTR; AAXC_CHLAB; AAXC_CHLCV; AAXC_CHLFF; AAXC_CHLMU; AAXC_CHLPN; AAXC_CHLT2; AAXC_CHLTA; AAXC_CHLTB; AAXC_CHLTR; ADC2_ORYSJ; ADC_HUMAN; ADIA_ECOLI; ADIC ChEBI
Patent Database Links EP1369134; EP1630164; EP1749525; US2004171682; US2005020659; US2005175543; US2006270608; US2007203240; US2007212311; WO2006024453; WO2006066894; WO2006113140; WO2008157537 ChEBI
therap NMDA blocker, alpha-2 adrenergic agonist; NO synthase inhibitor MicroSource Spectrum
Reactome Database Links REACT_14806; REACT_22283; REACT_22327 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PAO-1-E Polyamine Oxidase (cluster #1 Of 1), Eukaryotic Eukaryotes 3000 0.86 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PAO_MAIZE O64411 Polyamine Oxidase, Maize 3000 0.86 Binding ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Agmatine biosynthesis
Organic cation transport

Analogs ( Draw Identity 99% 90% 80% 70% )