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Basic information
- Standard SMILES
CCCCc1ccc(NC(C)=O)c(C)c1- InChIKey
ZFVMECVBUGMWIX-UHFFFAOYSA-N- Molecular formula
- C13H19NO
- Average molar mass
- 205.301 g/mol
- Monoisotopic mass
- 205.14666423
Names & identifiers
- Preferred name
- N-(4-Butyl-2-methylphenyl)acetamide
- IUPAC
- N-(4-Butyl-2-methylphenyl)acetamide
- English name
- N1-(4-Butyl-2-methylphenyl)acetamide
- Molecular formula
- C13H19NO
- Molecular weight
- 205.3
Names & synonyms
CS-1090SMIP004SMIP-004SMIP 004SMIP 004SMIP-004SMIP004, 10 mM in DMSO4-N-BUTYL-2-METHYLACETANILIDE4'-(But-1-yl)-2'-methylacetanilideN-(4-Butyl-2-methylphenyl)acetamideSKP2 E3 Ligase Inhibitor II, SMIP004
Database identifiers
- CAS
143360-00-3- PubChem CID
- 2747581
- DTXSID
DTXSID40372672- ChEMBL
CHEMBL6102145- ChEBI
CHEBI:230532- EC Number
- 861-489-1
- Nikkaji
- J1.597.674H
Properties
Physicochemical properties
- Boiling point
- 343 · 343.0±21.0 °C(Predicted)
- Density
- 1.003 · 1.003±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 20.5 mg/mL · ≥ 20.5 mg/mL in DMSO, ≥ 53.6 mg/mL in EtOH with ultrasonic
- pka
- 15.14 · 15.14±0.70(Predicted)
- form
- Solid
- color
- White to off-white
- InChI
- 1S/C13H19NO/c1-4-5-6-12-7-8-13(10(2)9-12)14-11(3)15/h7-9H,4-6H2,1-3H3,(H,14,15)
- InChIKey
- ZFVMECVBUGMWIX-UHFFFAOYSA-N
- SMILES
- N(c1c(cc(cc1)CCCC)C)C(=O)C
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280
- WGK Germany
- 2 · WGK 2
- HS Code
- 2924297099 · 2924297099
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- wgk
- WGK 2
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280
Chemistry & industry
Applications
UsesSMIP004 is a SKP2 E3 ligase inhibitor, which downregulates SKP2 and to stabilise p27. SMIP004 is a cancer cell selective apoptosis inducer of human prostate cancer cells[1][2].
Suppliers29 total
Aladdin Scientific[email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
United Life Science020-82099279 18988941402 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
广州市齐云生物技术有限公司020-61288194 61288195 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
Cckinase, Inc.+1 (732)236-3202 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
Musechem+1-800-259-7612 · [email protected]
上海与昂生物科技有限公司021-58111628 15800915896 · [email protected]
天津凯芾医药科技有限公司18081075745 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
上海皓元医药股份有限公司021-58950125 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海弘渠生物医药科技有限公司88888888888 · [email protected]
InvivoChem+1-708-310-1919 +1-13798911105 · [email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
Related reactions
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