MNITMT - ≥98% , CAS No.177653-76-8

CAS: 177653-76-8 Cat. No.: M287075 분자식: C₇H₈N₆O₂S 분자량: 240.24

등급 & 순도 ≥98%

Synonyms

4-Methyl-3-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-4H-1,2,4-triazole|4-methyl-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-4H-1,2,4-triazole

Storage

20°C에서 보관

Shipped In

아이스 박스 + 아이스 패드

사양

동의어

4-Methyl-3-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-4H-1,2,4-triazole | 4-methyl-3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-4H-1,2,4-triazole

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

새로운 무독성 면역 억제제. 시험관 내에서 인간 혼합 림프구 반응을 억제하고(ED50= 2.7μM) 생쥐의 피부 이식 생존을 연장합니다. 토끼에 경구 투여 후 항체 반응을 98.1% 감소시켰습니다.

보관 조건

20°C에서 보관

배송

아이스 박스 + 아이스 패드

순수함

≥98%

이름과 식별자

Pubchem Sid

504758593

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758593

정식 스마일

CN1C=NC(=C1SC2=NN=CN2C)[N+](=O)[O-]

IUPAC Name

4-methyl-3-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1,2,4-triazole

InChIKey

NMBDIMPYACLUDE-UHFFFAOYSA-N

INCHI

1S/C7H8N6O2S/c1-11-3-8-5(13(14)15)6(11)16-7-10-9-4-12(7)2/h3-4H,1-2H3

이성체 SMILES

CN1C=NC(=C1SC2=NN=CN2C)[N+](=O)[O-]

분자량

240.24

Reaxy-Rn

7540105

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7540105&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • 분류 Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 분류: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylthioethers
• Alternative Parents: Nitroimidazoles Nitroaromatic compounds N-substituted imidazoles Imidolactams Triazoles Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diarylthioether - Nitroaromatic compound - Nitroimidazole - N-substituted imidazole - Imidolactam - Azole - Imidazole - Heteroaromatic compound - 1,2,4-triazole - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
• External Descriptors: Not available

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

관련 대상(인간)

A498 (42825 Activities)

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ACHN (49357 Activities)

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CAKI-1 (44928 Activities)

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CCRF-CEM (65223 Activities)

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COLO 205 (50209 Activities)

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DLD-1 (17511 Activities)

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DMS-273 (14108 Activities)

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HT-29 (80576 Activities)

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K562 (73714 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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MOLT-4 (49676 Activities)

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OVCAR-3 (48710 Activities)

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OVCAR-4 (44535 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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RPMI-8226 (44974 Activities)

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RXF 631 (11415 Activities)

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SF-295 (48000 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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SNB-78 (14240 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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XF498 (12972 Activities)

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786-0 (47912 Activities)

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A549 (127892 Activities)

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EKVX (44102 Activities)

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NCI-H322M (45589 Activities)

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HCC 2998 (41480 Activities)

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HCT-116 (91556 Activities)

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HOP-18 (11577 Activities)

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HOP-92 (41141 Activities)

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NCI-H460 (60772 Activities)

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SF-268 (49410 Activities)

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IGROV-1 (47897 Activities)

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LOX IMVI (44321 Activities)

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HOP-62 (47048 Activities)

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LXFL 529 (14112 Activities)

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M19-MEL (15326 Activities)

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Malme-3M (44254 Activities)

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SNB-75 (44215 Activities)

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NCI-H226 (44470 Activities)

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관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:water, Max Conc. mg/mL: 2.4, Max Conc. mM: 10
• 분자량: 240.250 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 240.043 Da
• Monoisotopic Mass: 240.043 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 274.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 177653-76-8, the molecular formula is C7H8N6O2S, and the molecular weight is 240.24 g/mol. InChIKey NMBDIMPYACLUDE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.