MD2-IN-1 - ≥99% , CAS No.111797-22-9

CAS: 111797-22-9 Cat. No.: M413525 분자식: C20H22O6 분자량: 358.39
주문 가능
GRADE & PURITY ≥99%
Synonyms
2-​Propen-​1-​one,1-​(3,​4-​dimethoxyphenyl)​-​3-​(3,​4,​5-​trimethoxyphenyl)​-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
독일 (EU)*
Price
Qty
2mg
M413525-2mg
3 재고 있음
—

US$48.90

US$73.90
저장 US$25.00 (33.83%)
5mg
M413525-5mg
3 재고 있음
—

US$106.90

US$160.90
저장 US$54.00 (33.56%)
25mg
M413525-25mg
2 재고 있음
—

US$397.90

US$596.90
저장 US$199.00 (33.34%)
50mg
M413525-50mg
2 재고 있음
—

US$715.90

US$1,073.90
저장 US$358.00 (33.34%)
100mg
M413525-100mg
2 재고 있음
—

US$1,216.90

US$1,825.90
저장 US$609.00 (33.35%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

Information

MD2-IN-1 MD2-IN-1 is an inhibitor of Myeloid differentiation protein 2 (MD2) with a KD value of 189 μM.


Targets

MD2 189 μM(Kd)

Specifications

동의어
2-​Propen-​1-​one,1-​(3,​4-​dimethoxyphenyl)​-​3-​(3,​4,​5-​trimethoxyphenyl)​-
사양 및 순도
≥99%
생화학 및 생리적 메커니즘
MD2-IN-1 is an inhibitor of Myeloid differentiation protein 2 (MD2) with a KD value of 189\u2009μM.
보관 조건
Store at -20°C
배송
Ice chest + Ice pads
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
작업 유형
INHIBITOR
순수함
≥99%
제품 특성
ALogP
3.62
hba_count
6
회전 가능한 결합
8
이름과 식별자
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504763954
정식 스마일
COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC
IUPAC Name
(E)-1-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
InChIKey
ZKYRYELHPFTZTI-SOFGYWHQSA-N
INCHI
1S/C20H22O6/c1-22-16-9-7-14(12-17(16)23-2)15(21)8-6-13-10-18(24-3)20(26-5)19(11-13)25-4/h6-12H,1-5H3/b8-6+
이성체 SMILES
COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC)OC
분자량
358.39
Reaxy-Rn
18865744
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18865744&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
분류Linear 1,3-diarylpropanoids
SubclassChalcones and dihydrochalcones
Intermediate Tree Nodes Not available
Direct ParentRetrochalcones
Alternative Parents Cinnamic acids and derivatives  Dimethoxybenzenes  Styrenes  Phenoxy compounds  Benzoyl derivatives  Aryl ketones  Anisoles  Alkyl aryl ethers  Enones  Acryloyl compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Retrochalcone - Cinnamic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Styrene - Aryl ketone - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Enone - Alpha,beta-unsaturated ketone - Acryloyl-group - Ketone - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
설명This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
K562 (73714 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H460 (60772 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot NumberCertificate Type날짜항목
G2213036Certificate of AnalysisApr 03, 2025 M413525
G2213073Certificate of AnalysisApr 03, 2025 M413525
G2213151Certificate of AnalysisApr 03, 2025 M413525
G2213153Certificate of AnalysisApr 03, 2025 M413525
G2213154Certificate of AnalysisApr 03, 2025 M413525
화학 및 물리적 특성
용해성Solubility (25°C) In vitro DMSO: 72 mg/mL (200.89 mM); Ethanol: 2 mg/mL (5.58 mM); Water: Insoluble;
DMSO(mg/mL) 최대 용해도72
DMSO(mM) 최대 용해도200.89846256871
물(mg/mL) 최대 용해도<1
분자량358.400 g/mol
XLogP33.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass358.142 Da
Monoisotopic Mass358.142 Da
Topological Polar Surface Area63.200 Ų
Heavy Atom Count26
Formal Charge0
Complexity451.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
솔루션 계산기
리뷰

고객 리뷰

자주 묻는 질문

What is the purity of this product?
This product is supplied at ≥99% 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 111797-22-9, the molecular formula is C20H22O6, and the molecular weight is 358.39 g/mol. InChIKey ZKYRYELHPFTZTI-SOFGYWHQSA-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.

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