Basic information
- CAS
5355-16-8- Standard SMILES
COc1ccc(Cc2cnc(N)nc2N)cc1OC- InChIKey
LDBTVAXGKYIFHO-UHFFFAOYSA-N- Molecular formula
- C13H16N4O2
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.12732575
Overview
Diaveridine is an aminopyrimidine in which the pyrimidine ring carries amino substituents at C-2 and C-4 and a 3,4-dimethoxybenzyl group at C-5. A folic acid antagonist, it is used as a synergist with sulfonamides against the parasitic Eimeria species. It has a role as an antiparasitic agent and a drug allergen.
Names & identifiers
- Preferred name
- Diaveridine
- IUPAC
- 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
- English name
- Diaveridine
- Molecular formula
- C13H16N4O2
- Molecular weight
- 260.29
Names & synonyms
DIAVERIDINE5355-16-8Diaveridin5-(3,4-dimethoxybenzyl)pyrimidine-2,4-diamineDiaveridina2,4-Diamino-5-veratrylpyrimidineDiaveridinumBW 49-2102,4-Diamino-5-(3,4-dimethoxybenzyl)pyrimidineNSC-4087355-((3,4-Dimethoxyphenyl)methyl)-2,4-pyrimidinediamineDTXSID2046200
Show more names
DVDDIVERDINEDifenacegis5645dijunjinAI3-23935CCRIS-3784
7KVX81XA87CHEBI:1231152,4-Pyrimidinediamine, 5-[(3,4-dimethoxyphenyl)methyl]-BW-49210BW-49-2102,4-Pyrimidinediamine, 5-((3,4-dimethoxyphenyl)methyl)-DTXCID0026200RefChem:586320
Database identifiers
- CAS
5355-16-8- PubChem CID
- 21453
- DTXSID
DTXSID2046200- ChEMBL
CHEMBL19633- ChEBI
CHEBI:123115- UNII
- 7KVX81XA87
- EC Number
- 226-333-3
- Nikkaji
- J9.549D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 279
Experimental & physicochemical properties
Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan
Physicochemical properties
- Melting point
- 233 ° · 233°
- Boiling point
- 506.1 · 506.1±60.0 °C(Predicted)
- Density
- 1.252 · 1.252±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- DMSO (Slightly)
- pka
- 7.11 · 7.11±0.10(Predicted)
- form
- Solid
- color
- White to Pale Yellow
- Merck
- 13 · 13,3017
- BRN
- 258464 · 258464
- Major Application
- forensics and toxicologypharmaceutical (small molecule)
- InChI
- InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)
- InChIKey
- LDBTVAXGKYIFHO-UHFFFAOYSA-N
- SMILES
- C1(N)=NC=C(CC2=CC=C(OC)C(OC)=C2)C(N)=N1
- CAS DataBase Reference
- 5355 · 5355-16-8(CAS DataBase Reference)
- FDA UNII
- 7 KVX81XA87 · 7KVX81XA87
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 2 · 2
- RTECS
- 8142000 · UV8142000
- HS Code
- 29335990 · 29335990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationDiaveridine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 2,4-Pyrimidinediamine, 5-[(3,4-dimethoxyphenyl)methyl]-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- rtecs
- UV8142000
- hs_code
- 29335990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
ATC CodeQP - Antiparasitic products, insecticides and repellents
Uses & manufacturing
Use ClassificationPharmaceuticals -> Animal Drugs -> Approved in Taiwan
Applications
UsesAntibacterial.
UsesDiaveridine is a dihydrofolate reductase inhibitor. It is used in veterinary medicine as a drug for its anticoccidial properties and its function as an antibacterial synergist.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
陕西林奈生物化工有限公司15327269642 · [email protected]
湖北辰心化工有限公司18696113233 · [email protected]
湖南瑞威尔生物科技有限公司15608648206 13297919155 · [email protected]
江西瑞威尔生物科技有限公司18502728206 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
广州蒂嚎医药科技有限公司18602015453
武汉卡诺斯科技有限公司027-83238443 15327105076 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
ChemeGen 中国18818260767 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Hubei Datong Bio-Chemical Technology Co.,Ltd027-87666700 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18602735115 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
武汉贝乐叶生物医药科技有限公司18086118078 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
湖北宜好生物科技有限公司18995688786 · [email protected]
湖北威德利化学试剂有限公司18327179646 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
石家庄瑞田生化有限公司15831127780 · [email protected]
上海珞珐生化科技有限公司021-51111890 15317326293 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Additional notes
DefinitionChEBI: An aminopyrimidine in which the pyrimidine ring carries amino substituents at C-2 and C-4 and a 3,4-dimethoxybenzyl group at C-5. A folic acid antagonist, it is used as a synergist with sulfonamides against the parasitic Eimeria species.
Related reactions
6 records
Compound notes
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