D-Luciferin - BioReagent, ≥99%(HPLC), synthetic , CAS No.2591-17-5

CAS: 2591-17-5 Cat. No.: D755588 분자식: C₁₁H₈N₂O₃S₂ 분자량: 280.32 Beilstein Registry Number: 27(4)8934 EC 번호: 219-981-3

등급 & 순도 BioReagent, ≥99%(HPLC), synthetic

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

D-Luciferin is mainly produced in bioluminescent organisms. It has the ability to simply circulate across the blood testis barrier, blood brain barrier and the blood placenta barrier. This small molecule is sensitive to light and oxygen. It is also sensitive to moisture in its powder form.

Application:

D-Luciferin has been used in the preparation of the reaction mixture for nitric oxide determination by minescence measurement. It has also been used in the preparation of D-luciferin stock solution for luciferin assays.

Substrate for firefly luciferase with a Km of approx 2 μM.

사양

사양 및 순도

BioReagent, ≥99%(HPLC), synthetic

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

BioReagent

순수함

≥99%(HPLC)

이름과 식별자

정식 스마일

C1C(N=C(S1)C2=NC3=C(S2)C=C(C=C3)O)C(=O)O

IUPAC Name

(4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

InChIKey

BJGNCJDXODQBOB-SSDOTTSWSA-N

INCHI

1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m1/s1

이성체 SMILES

C1[C@@H](N=C(S1)C2=NC3=C(S2)C=C(C=C3)O)C(=O)O

WGK 독일

3

분자량

280.32

Beilstein

27(4)8934

Reaxy-Rn

269810

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=269810&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Benzothiazoles 1-hydroxy-2-unsubstituted benzenoids Imidothiolactones Thiazolines Thiazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - 1,3-benzothiazole - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Imidothiolactone - Azole - Thiazole - Meta-thiazoline - Heteroaromatic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• External Descriptors: benzothiazoles - 1,3-thiazolemonocarboxylic acid - imidothioate

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

화학 및 물리적 특성

• 용해성: DMSO: 10 mg/mL, clear, colorless to faintly yellow
• 특정 회전[α]: -33° (C=1,DMF)
• 녹는점(°C): 200°C
• 분자량: 280.300 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 279.998 Da
• Monoisotopic Mass: 279.998 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 390.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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, and how is it determined?

This product is supplied at ≥99% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

What does BioReagent mean?

BioReagent indicates that the product has been processed and tested for biological and biochemical applications. Specifications may include endotoxin limits, microbial controls, sterility, low DNase/RNase/protease activity, and verified biological activity where relevant.

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 2591-17-5, the molecular formula is C11H8N2O3S2, and the molecular weight is 280.32 g/mol. InChIKey BJGNCJDXODQBOB-SSDOTTSWSA-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.