TBI-166 - ≥98% , CAS No.1353734-12-9

CAS: 1353734-12-9 Cat. No.: T646201 분자식: C₃₂H₃₀F₃N₅O₃ 분자량: 589.61 PubChem CID: 53377576

등급 & 순도 ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

TBI-166, a riminophenazine analogue, is an orally active anti-tuberculosis agent with fewer adverse reactions than the lead riminophenazine compound, Clofazimine .

In Vitro

TBI-166 inhibits M. tuberculosis H37Rv replicates (MIC: 0.063 μg/mL), and is effective against 16 drug-sensitive clinical isolates (Mycobacterial species) with MICs of 0.005-0.15 μg/mL. TBI-166 (0-1 μg/mL, 3 days) inhibits intracellular M. tuberculosis in M. tuberculosis infecting J774A.1 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

TBI-166 (10-80 mg/kg, p.o., 8 weeks) displays antituberculosis activity in chronic murine M. tuberculosis H37Rv infected model . TBI-166 displays a LD50 more than 3,000 mg/kg in mice . TBI-166 has a short half-life (41.25 h) and reduces the potential for skin pigmentation. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Chronic murine M. tuberculosis H37Rv infected model Dosage: 10, 20, 80 mg/kg Administration: Oral administration, 8 weeks. Result: Reduced CFU counts in lung.

Form:Solid

사양

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

TBI-166, a riminophenazine analogue, is an orally active anti-tuberculosis agent with fewer adverse reactions than the lead riminophenazine compound, Clofazimine ( HY-B1046 ).

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

정식 스마일

COC1CCC(CC1)N=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=C(C=C5)OC(F)(F)F)C=C2NC6=C(N=CC=C6)OC

이성체 SMILES

COC1CCC(CC1)N=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=C(C=C5)OC(F)(F)F)C=C2NC6=C(N=CC=C6)OC

PubChem CID

53377576

분자량

589.61

관련 대상(비인간)

Mycobacterium tuberculosis (203094 Activities)

Explore this target

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

Mus musculus (284745 Activities)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO : 9.09 mg/mL (15.42 mM; ultrasonic and adjust pH to 3 with HCl)
• 분자량: 589.600 g/mol
• XLogP3: 6.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 589.23 Da
• Monoisotopic Mass: 589.23 Da
• Topological Polar Surface Area: 80.600 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 1090.000
• 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 1353734-12-9, the molecular formula is C32H30F3N5O3, and the molecular weight is 589.61 g/mol.

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.