MedKoo Cat#: 127099 | Name: (S)-p-SCN-Bn-DOTA
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Description:

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

(S)-p-SCN-Bn-DOTA is a bifunctional chelator (Bifunctional Chelator; BFC) and a macrocyclic DOTA derivative used for tumor pre-targeting. Not: This product has lower purity. ~80%. It is a HCl salt and contained some water,

Chemical Structure

(S)-p-SCN-Bn-DOTA
(S)-p-SCN-Bn-DOTA
CAS#1020407-41-3

Theoretical Analysis

MedKoo Cat#: 127099

Name: (S)-p-SCN-Bn-DOTA

CAS#: 1020407-41-3

Chemical Formula: C24H33N5O8S

Exact Mass: 551.2050

Molecular Weight: 551.62

Elemental Analysis: C, 52.26; H, 6.03; N, 12.70; O, 23.20; S, 5.81

Price and Availability

Size Price Availability Quantity
50mg USD 750.00 2 Weeks
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Related CAS #
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Synonym
(S)-p-SCN-Bn-DOTA; (S)-p-SCN-Bn DOTA; (S)-p-SCN Bn-DOTA
IUPAC/Chemical Name
(S)-2,2',2'',2'''-(2-(4-isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid
InChi Key
UDOPJKHABYSVIX-FQEVSTJZSA-N
InChi Code
InChI=1S/C24H33N5O8S/c30-21(31)13-26-5-6-27(14-22(32)33)9-10-29(16-24(36)37)20(12-28(8-7-26)15-23(34)35)11-18-1-3-19(4-2-18)25-17-38/h1-4,20H,5-16H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)/t20-/m0/s1
SMILES Code
OC(CN(CCN(CCN(CCN(C1)CC(O)=O)CC(O)=O)CC(O)=O)[C@H]1CC2=CC=C(C=C2)N=C=S)=O
Appearance
To be determined
Purity
>80% (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 551.62 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