Basic information
- CAS
40454-21-5- Standard SMILES
NC(N)=N[C@@H](CS)C(=O)O- InChIKey
XWRZKLKALVJDDS-REOHCLBHSA-N- Molecular formula
- C4H9N3O2S
- Average molar mass
- 163.2 g/mol
- Monoisotopic mass
- 163.04154771
Overview
RN given refers to (L)-cysteine; structure given in first source
Names & identifiers
- Preferred name
- N-(Aminoiminomethyl)-L-cysteine
- IUPAC
- (2R)-2-(diaminomethylideneamino)-3-sulfanylpropanoic acid
- English name
- Guanyl-Cys-OH
- Molecular formula
- C4H9N3O2S
- Molecular weight
- 163.2
Names & synonyms
40454-21-5IQB-782n-guanylcysteineN-(Aminoiminomethyl)-L-cysteineL-Cysteine, N-(aminoiminomethyl)-N-Guanidine-beta-mercaptoalanine48PVL851IDDTXSID90193470RefChem:926937DTXCID00115961N-Amidino-L-cysteineGUANYL-CYS-OH
Show more names
IQB782,IQB 782GUANYL-L-CYSTEINEN-ALPHA-GUANYL-L-CYSTEINE
N-Guanyl-cysteineamidinocysteine(2R)-2-(diaminomethylideneamino)-3-sulfanylpropanoic acidN-AmidinocysteineIqb 782EINECS 254-925-1N-GUANYL-L-CYSTEINEBRN 2087654
Database identifiers
- CAS
40454-21-5- PubChem CID
- 38477
- DTXSID
DTXSID90193470- UNII
- 48PVL851ID
- EC Number
- 254-925-1
- Nikkaji
- J227.838C
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 325.8 · 325.8±52.0 °C(Predicted)
- Density
- 1.66 · 1.66±0.1 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- pka
- 3.01 · 3.01±0.10(Predicted)
- Cosmetics Ingredients Functions
- HAIR WAVING OR STRAIGHTENING
- FDA UNII
- 48 PVL851ID · 48PVL851ID
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Toxicity
- 50 oral · LD50 oral in rat: > 6gm/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 oral in rat: > 6gm/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesIQB-782 is a cysteine derivative. IQB-782 has inhibition for thrombin activatable fibrinolysis inhibitor (TAFI), with an Ki(app) of 0.14 μM. IQB-782 shows a potent mucolytic-expectorant activity[1][2].
Suppliers6 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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