Basic information
- CAS
118409-62-4- Standard SMILES
N#CC(C#N)=Cc1ccc([N+](=O)[O-])c(O)c1- InChIKey
DUQADSPERJRQBW-UHFFFAOYSA-N- Molecular formula
- C10H5N3O3
- Average molar mass
- 215.16 g/mol
- Monoisotopic mass
- 215.03309103
Overview
2-[(3-hydroxy-4-nitrophenyl)methylidene]propanedinitrile is a nitrophenol.
Names & identifiers
- Preferred name
- AG 126
- IUPAC
- 2-[(3-hydroxy-4-nitrophenyl)methylidene]propanedinitrile
- English name
- TYRPHOSTIN AG 126
- Molecular formula
- C10H5N3O3
- Molecular weight
- 215.16
Names & synonyms
118409-62-4Tyrphostin AG 126AG-126ag126AG 1267YA4AMD1JCDTXSID80152117TYRPHOSTIN A-10RefChem:553152DTXCID3074608634-194-92-(3-hydroxy-4-nitrobenzylidene)malononitrile
Show more names
ag127A -126TYRPHOSTIN A10Tyrphostin 126RARECHEM AL BX 0673AG126, 10 mM in DMSOTYRPHOSTIN AG 126 USP/EP/BP
tyrphostin AG-1262-[(3-hydroxy-4-nitrophenyl)methylidene]propanedinitrilePropanedinitrile, ((3-hydroxy-4-nitrophenyl)methylene)-alpha-Cyano-(3-hydroxy-4-nitro)cinnamonitrileTyrphostin AG126Propanedinitrile,2-[(3-hydroxy-4-nitrophenyl)methylene]-MFCD00236448BDBM4326
Database identifiers
- CAS
118409-62-4- PubChem CID
- 2046
- DTXSID
DTXSID80152117- ChEMBL
CHEMBL77387- ChEBI
CHEBI:94704- UNII
- 7YA4AMD1JC
- EC Number
- 634-194-9
- Nikkaji
- J928.849J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- solubility
- 0.15 mg/ml · ≤0.15mg/ml in ethanol;10mg/ml in DMSO;10mg/ml in dimethyl formamide
- form
- Yellow solid
- color
- Light yellow to yellow
- Sensitive
- Light Sensitive
- InChI
- 1S/C10H5N3O3/c11-5-8(6-12)3-7-1-2-9(13(15)16)10(14)4-7/h1-4,14H
- InChIKey
- DUQADSPERJRQBW-UHFFFAOYSA-N
- SMILES
- [N+](=O)([O-])c1c(cc(cc1)C=C(C#N)C#N)O
- FDA UNII
- 7 YA4AMD1JC · 7YA4AMD1JC
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- T
- Risk Statements
- 23 · 23/24/25
- Safety Statements
- 26 · 26-36-45
- WGK Germany
- 3 · 3
- HazardClass
- 6.1 · 6.1
- HS Code
- 2926907090 · 2926907090
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- hs_code
- 2926907090
- risk_code
- 23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 26-36-45
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Applications
UsesAG126 is a tyrosine kinase inhibitor, can inhibit the phosphorylation of ERK1 and ERK2 at 25-50 μM. AG126 can be used in meiosis, mitosis, and postmitotic research[1][2][3][4].
Suppliers51 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
ChemeGen 中国18818260767 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
南京杜莱生物技术有限公司025-84699383-8003;025-846993838003-8003 18013301590 · [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]
BOC Sciences16314854226; +8616314854226 · [email protected]
开封明仁药业有限公司0371-65741762 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
风咏生物（AbMole）021-10000000 13000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
常州美泰生物科技有限公司0519-83246372 13585352506
爱必信（上海）生物科技有限公司13761418683 · [email protected]
上海与昂生物科技有限公司021-58111628 15800915896 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海凯裕医药科技有限公司17317130613 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
天津凯芾医药科技有限公司18081075745 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
Aladdin Scientific[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
Tianjin Xinshengjiahe Science & Technology Development Co,.Ltd+86-86-22-87899925 +86-8618522618860 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
奥默生物技术（上海）有限公司19821158099 · [email protected]
苏州致信生物科技有限公司0512-65118909 18100677375 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
上海安毕达生物科技有限公司021-61629020 18201956406 · [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]
Additional notes
DefinitionChEBI: 2-[(3-hydroxy-4-nitrophenyl)methylidene]propanedinitrile is a nitrophenol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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