MedKoo Cat#: 122738 | Name: PUN91835
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

PUN91835, also known as ROX NHS ester, is a rhodamine dye linker containing NHS ester group which can be used to label the primary amines (-NH2) of proteins, oligonucleotides, and other amine-containing molecules. This product has no formal name at the moment. For the convenience of communication, a temporal code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Chemical Structure

PUN91835
PUN91835
CAS# 117491-83-5

Theoretical Analysis

MedKoo Cat#: 122738

Name: PUN91835

CAS#: 117491-83-5

Chemical Formula: C37H33N3O7

Exact Mass: 631.2300

Molecular Weight: 631.69

Elemental Analysis: C, 70.35; H, 5.27; N, 6.65; O, 17.73

Price and Availability

Size Price Availability Quantity
1mg USD 350.00 2 Weeks
5mg USD 650.00 2 Weeks
10mg USD 950.00 2 Weeks
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Related CAS #
No Data
Synonym
ROX NHS ester; ZINC100035711; PUN91835; PUN-91835; PUN 91835;
IUPAC/Chemical Name
1-[[(2',3',6',7',12',13',16',17'-Octahydro-3-oxospiro[isobenzofuran-1(3H),9'-[1H,5H,9H,11H,15H]xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin]-6-yl)carbonyl]oxy]-2,5-pyrrolidinedione
InChi Key
PLTIOQHKDXDXSK-UHFFFAOYSA-N
InChi Code
InChI=1S/C37H33N3O7/c41-29-11-12-30(42)40(29)47-35(43)22-9-10-23-26(19-22)37(46-36(23)44)27-17-20-5-1-13-38-15-3-7-24(31(20)38)33(27)45-34-25-8-4-16-39-14-2-6-21(32(25)39)18-28(34)37/h9-10,17-19H,1-8,11-16H2
SMILES Code
O=C(CC1)N(OC(C2=CC(C3(C4=CC5=C6N(CCC5)CCCC6=C4OC7=C3C=C8CCCN9CCCC7=C98)O%10)=C(C=C2)C%10=O)=O)C1=O
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 631.69 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL