Basic information
- CAS
139332-94-8- Standard SMILES
CC(=O)NC(CSCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)O- InChIKey
PKFBJSDMCRJYDC-UHFFFAOYSA-N- Molecular formula
- C25H41NO3S
- Average molar mass
- 435.7 g/mol
- Monoisotopic mass
- 435.28071534
Names & identifiers
- Preferred name
- N-Acetyl-S-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl)cysteine
- IUPAC
- 2-acetamido-3-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenylsulfanyl)propanoic acid
- English name
- N-Acetyl-S-geranylgeranyl-L-cysteine
- Molecular formula
- C25H41NO3S
- Molecular weight
- 435.66
Names & synonyms
DTXSID30274353N-Acetyl-S-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl)cysteineAGGCPKFBJSDMCRJYDC-GEZSXCAASA-NN-Acetyl-S-geranylgeranyl-L-cysteineN-Acetyl-S-geranylgeranyl-L-cysteine (AGGC)N-ACETYL-S-GERANYLGERANYL-L-CYSTEINE USP/EP/BPN-ACETYL-S-(3,7,11,15-TETRAMETHYL-2E,6E,10E,14-HEXADECATETRAENYL)-L-CYSTEINEAGGC, N-Acetyl-S-(3,7,11,15-tetramethyl-2E,6E,10E,14-hexadecatetraenyl)-L-cysteine2-acetamido-3-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenylsulfanyl)propanoicaciL-Cysteine, N-acetyl-S-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]-(R)-2-Acetamido-3-(((2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl)thio)propanoic acid
Database identifiers
- CAS
139332-94-8- PubChem CID
- 2067
- DTXSID
DTXSID30274353
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 655
Physicochemical properties
- Boiling point
- 617.5 · 617.5±55.0 °C(Predicted)
- Density
- 1.013 · 1.013±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- 0.1 M · 0.1 M Na2CO3: 11 mg/ml; DMF: 50 mg/ml; DMSO: 33 mg/ml; Ethanol: 50 mg/ml
- form
- ethanol solution
- pka
- 3.31 · 3.31±0.10(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H319
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P337+P313-P370+P378-P403+P235-P501
- Hazard Codes
- F
- Risk Statements
- 11 · 11
- Safety Statements
- 7 · 7-16
- RIDADR
- 1170 · UN 1170 3/PG 2
- WGK Germany
- 1 · 1
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
- wgk
- 1
- ridadr
- UN 1170 3/PG 2
- risk_code
- 11
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F
- safety_code
- 7-16
- Hazard statements
- H225-H319
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P337+P313-P370+P378-P403+P235-P501
Chemistry & industry
Applications
DescriptionN-acetyl-S-geranylgeranyl-L-Cysteine is a synthetic substrate for the isoprenylated protein methyltransferase (also known as S-adenosylmethionine-dependent methyltransferase). Because it is able to serve as a substrate for the methyltransferase, it effectively functions as an inhibitor of methylation of endogenous isoprenylated proteins.
UsesN-acetyl-S-geranylgeranyl-L-Cysteine is a synthetic substrate for the isoprenylated protein methyltransferase (also known as S-adenosylmethionine-dependent methyltransferase). Because it is able to serve as a substrate for the methyltransferase, it effectively functions as an inhibitor of methylation of endogenous isoprenylated proteins.
Suppliers12 total
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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