BioA-IN-1

Name: BioA-IN-1
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 77820-11-2
Cat. No. CS-0207153
Purity≥97%
MDL No.MFCD00051376

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Each bottle is packed as an Excepted Quantity, with a maximum of 1g for items in class 6.1 packing group I or II, and up to 25g for all other hazardous materials.

If shipping is charged to your FedEx account, the HazMat fee will be billed directly by the courier. Otherwise, the fee will be included on your invoice. To help you avoid the HazMat fee, we can package a 5g order of a class 6.1 packing group I or II material as five separate 1g units, and a 100g order of any other dangerous good as four 25g units. This packaging adjustment will be made unless you instruct otherwise on your purchase order. Below, you will find the fee schedule from FedEx for handling hazardous materials.

Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

There is a HazMat shipping fee for each item that qualifies as a dangerous good. Please contact our quotation team via email to confirm the details.

*For research and further manufacturing use only, not for direct human use.

Structure of 77820-11-2

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General Information

CAS No. 77820-11-2
Cat. No. CS-0207153
Purity ≥97%
MDL No. MFCD00051376
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₈H₁₇NO₃S
Molecular Weight 327.40
Synonym(s) None
SMILES O=C1OC2=C(C=C1C(C3=CC=CS3)=O)C=CC(N(CC)CC)=C2

Description

BioA-IN-1 is a potent, selective inhibitor of the bacterial enzyme BioA, targeting the biotin biosynthesis pathway. This small molecule integrates into the active site with high affinity, disrupting cofactor production in pathogenic strains. Bench-stable and water-soluble, it enables consistent performance in cellular assays and antimicrobial screening workflows.

Application

BioA-IN-1 serves as a well-characterized, bench-stable inhibitor targeting the BioA enzyme, enabling selective interrogation of purine biosynthesis pathways. Its defined structure facilitates straightforward synthesis and derivatization, offering practical utility in medicinal chemistry campaigns focused on nucleotide metabolism.

Synthesis

Route1
- In-stock
  
  13669-10-8
- In-stock
  
  17754-90-4
- ~%
- In-stock
  
  77820-11-2
References
- Tetrahedron, , vol. 38, # 9 p. 1203 - 1211

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 50.52
LogP 3.9317
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 5

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic heterocycle compounds Thiophene compounds

Building Blocks Skeleton Aromatic heterocycle compounds Coumarin compounds

Key Words

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CAS No. 77820-11-2

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