Basic information
- CAS
211555-05-4- Standard SMILES
COc1cc2ncnc(Nc3cc(Br)c(O)c(Br)c3)c2cc1OC- InChIKey
YVCXQRVVNQMZEI-UHFFFAOYSA-N- Molecular formula
- C16H13Br2N3O3
- Average molar mass
- 455.1 g/mol
- Monoisotopic mass
- 452.93237
Overview
2,6-dibromo-4-[(6,7-dimethoxy-4-quinazolinyl)amino]phenol is a member of quinazolines.
Names & identifiers
- Preferred name
- Whi-P97
- IUPAC
- 2,6-dibromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
- English name
- WHI-P97
- Molecular formula
- C16H13Br2N3O3
- Molecular weight
- 455.1
Names & synonyms
WHI-P97211555-05-4DTXSID20274408RefChem:934208WHI P97DTXCID502258874-(3',5'-dibromo-4'-hydroxyphenyl)amino-6,7-dimethoxyquinazoline2,6-dibromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenolC16H13Br2N3O3CHEMBL421942Phenol, 2,6-dibromo-4-[(6,7-dimethoxy-4-quinazolinyl)amino]-2,6-Dibromo-4-[(6,7-dimethoxy-4-quinazolinyl)amino]phenol
Show more names
WHI-P-97WHI-P97, 10 mM in DMSOJAK3 Inhibitor I USP/EP/BPWHI-P 974-(3',5'-DibroMo-4-hydroxyphenyl)aMino-6,7-diMethoxyquinazolineJanus kinase,JAK,airway,Inhibitor,WHIP97,eosinophil recruitment,WHI-P97,inhibit,ovalbumin challenge,WHI P97,ovalbumin-sensitized,WHI-P-97
2,6-Dibromo-4-((6,7-dimethoxyquinazolin-4-yl)amino)phenol2,6-Dibromo-4-(6,7-dimethoxy-quinazolin-4-ylamino)-phenolHMS3265E234159AHMFCD02683947SCHEMBL323445orb1225685orb1302679
Database identifiers
- CAS
211555-05-4- PubChem CID
- 3796
- DTXSID
DTXSID20274408- ChEMBL
CHEMBL421942- ChEBI
CHEBI:91344- Nikkaji
- J1.451.529A
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 408
Physicochemical properties
- Boiling point
- 470.9 · 470.9±45.0 °C(Predicted)
- Density
- 1.785 · 1.785
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 5.88 mg/mL · DMSO : 5.88 mg/mL (12.92 mM; Need ultrasonic)H2O : < 0.1 mg/mL (insoluble)
- form
- Powder
- pka
- 7.05 · 7.05±0.36(Predicted)
- color
- White to gray
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Suppliers49 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
VDM Biochemicals0330-2528181 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
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斯派螺（武汉）药物研发有限公司[email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
风咏生物（AbMole）021-10000000 13000000000 · [email protected]
BOC Sciences16314854226 · [email protected]
广州市齐云生物技术有限公司020-61288194 61288195 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
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成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
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Musechem+1-800-259-7612 · [email protected]
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Aladdin Scientific[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]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海佰世凯生物科技有限公司021-20908456 · [email protected]
奥默生物技术（上海）有限公司19821158099 · [email protected]
上海皓元医药股份有限公司021-58950125 · [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]
常州辰鸿生物科技有限公司+86-0519-85788828 +86-13775037613 · [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]
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Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Additional notes
DefinitionChEBI: 2,6-dibromo-4-[(6,7-dimethoxy-4-quinazolinyl)amino]phenol is a member of quinazolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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