Imidazolidinyl Urea - ≥98% , CAS No.39236-46-9

CAS: 39236-46-9 Cat. No.: I133416 Peso molecular: 388.3 Número EC: 254-372-6

GRADE & PURITY ≥98%

Synonyms

IMIDUREA [II] | N',N'''-methanediylbis{1-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea} | Tox21_302325 | AKOS015895558 | BSPBio_001082 | Imidurea, United States Pharmacopeia (USP) Reference Standard | N,N''-methylenebis(N'-(3-(hydroxymethyl)-2,5-diox

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

An antimicrobial preservative.

Specifications

Sinónimos

IMIDUREA [II] | N', N'''-methanediylbis{1-[3-(hydroxymethyl)-2, 5-dioxoimidazolidin-4-yl]urea} | Tox21_302325 | AKOS015895558 | BSPBio_001082 | Imidurea, United States Pharmacopeia (USP) Reference Standard | N, N''-methylenebis(N'-(3-(hydroxymethyl)-2, 5-diox

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C(NC(=O)NC1C(=O)NC(=O)N1CO)NC(=O)NC2C(=O)NC(=O)N2CO
• IUPAC Name: 1-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-3-[[[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]carbamoylamino]methyl]urea
• InChIKey: ZCTXEAQXZGPWFG-UHFFFAOYSA-N
• INCHI: 1S/C11H16N8O8/c20-2-18-4(6(22)16-10(18)26)14-8(24)12-1-13-9(25)15-5-7(23)17-11(27)19(5)3-21/h4-5,20-21H,1-3H2,(H2,12,14,24)(H2,13,15,25)(H,16,22,26)(H,17,23,27)
• Isómeros SMILES: C(NC(=O)NC1C(=O)NC(=O)N1CO)NC(=O)NC2C(=O)NC(=O)N2CO
• RTECS: YT7365000
• Peso molecular: 388.3
• Reaxy-Rn: 8731946
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8731946&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azolines
      • Subclass Imidazolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azolines
• Subclass: Imidazolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazolines
• Alternative Parents: Organic carbonic acids and derivatives Isoureas Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Alkanolamines Organopnictogen compounds Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 3-imidazoline - Isourea - Carbonic acid derivative - Alkanolamine - Carboximidic acid derivative - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Imine - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as imidazolines. These are organic compounds containing an imidazoline ring, which is an unsaturated ring (derived from imidazole) with two nitrogen atoms at positions 1 and 3 respectively, and containing only one CN double bond.
• External Descriptors: ureas

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RAN Tchem GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 (21853 Activities)

Discover Target: RAN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

pol Human immunodeficiency virus type 1 integrase (9041 Activities)

Discover Target: pol

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Heat & Air sensitive.
• Peso molecular: 388.290 g/mol
• XLogP3: -3.400
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 388.109 Da
• Monoisotopic Mass: 388.109 Da
• Topological Polar Surface Area: 222.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 627.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Hui Xiong, Haitao Wu, Junqi Zhang, Shaoqi Huang, Shiyu Gu, Yujia Hou, Qi Wu, Jinrong Wu.  (2023)  Healable and Recyclable Polyurethane with Natural-Rubber-like Resilience via π-Type Tweezer Structure Stabilizing Dynamical Hard Domains.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.3c01770]

2. Xiao Wen, Zhipeng Deng, Hui Wang, Jianyang Shi, Shuang Wang, Haibo Wang, Yueming Song, Zongliang Du, Jinghong Qiu, Xu Cheng.  (2023)  High strength, self-healing sensitive ionogel sensor based on MXene/ionic liquid synergistic conductive network for human-motion detection.  Journal of Materials Chemistry B,  11  (47): (11251-11264).  [PMID:37823270] [10.1039/D3TB01570J]

3. Ruyue Wang, Xingxing Chen, Yuxuan Yang, Yongliang Xu, Qiang Zhang, Yanfeng Zhang, Yilong Cheng.  (2022)  Imidazolidinyl urea reinforced polyacrylamide hydrogels through the formation of multiple hydrogen bonds.  REACTIVE & FUNCTIONAL POLYMERS,      [PMID:] [10.1016/j.reactfunctpolym.2022.105183]

4. Qiuyue Ding, Wumin Zhang, Yuanyuan Zhu, Lu Wang, Xinyuan Feng, Yanyan Xi, Xufeng Lin.  (2021)  Supported Pt–Cu bimetallic catalysts: preparation and synergic effects in their catalytic oxidative degradation of aniline.  RSC Advances,  11  (54): (34355-34368).  [PMID:35497306] [10.1039/D1RA05762F]

5. Yuxuan Yang, Xiaodan Zhao, Jing Yu, Xingxing Chen, Ruyue Wang, Mengyuan Zhang, Qiang Zhang, Yanfeng Zhang, Shuang Wang, Yilong Cheng.  (2021)  Bioactive skin-mimicking hydrogel band-aids for diabetic wound healing and infectious skin incision treatment.  Bioactive Materials,      [PMID:33937595] [10.1016/j.bioactmat.2021.04.007]

6. Yongxin Guo, Hongda Zhang, Jianxun Ma, Yuhan Zheng, Gang Wang, Yong Yu.  (2026)  Functionalized hydrogel for efficient CO2 capture and biorefinery to produce volatile fatty acids.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2026.137527]