MedKoo Cat#: 122015 | Name: endo-BCN-Val-Cit-PAB-MMAE
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Description:

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

endo-BCN-Val-cit-PAB-MMAE is a synthetic antibody drug conjugate coupled to an BCN group. It contains a a protease-sensitive Val-Cit dipeptide, and a MMAE payload. The MMAE is a synthetic antineoplastic agent. It can be attached to a monoclonal antibody (MAB) which directs it toward cancer cells. The BCN group can react with azide -tagged compound or biomolecules.

Chemical Structure

endo-BCN-Val-Cit-PAB-MMAE
endo-BCN-Val-Cit-PAB-MMAE
CAS#2474773-53-8

Theoretical Analysis

MedKoo Cat#: 122015

Name: endo-BCN-Val-Cit-PAB-MMAE

CAS#: 2474773-53-8

Chemical Formula: C69H106N10O14

Exact Mass: 1298.7890

Molecular Weight: 1299.66

Elemental Analysis: C, 63.77; H, 8.22; N, 10.78; O, 17.23

Price and Availability

Size Price Availability Quantity
5mg USD 850.00 2 Weeks
10mg USD 1,350.00 2 Weeks
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Related CAS #
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Synonym
endo BCN Val Cit PAB MMAE, endo-BCN, Val-Cit-PAB-MMAE
IUPAC/Chemical Name
4-((S)-2-((S)-2-(((((1R,8S,9s)-bicyclo[6.1.0]non-4-yn-9-yl)methoxy)carbonyl)amino)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((2S)-1-(((2S)-1-(((4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate
InChi Key
BMUJDOMWXLOOIQ-TXTMXNQWSA-N
InChi Code
InChI=1S/C69H106N10O14/c1-15-43(8)59(54(90-13)37-55(80)79-36-24-30-53(79)61(91-14)44(9)62(82)72-45(10)60(81)47-25-19-18-20-26-47)77(11)66(86)57(41(4)5)75-65(85)58(42(6)7)78(12)69(89)93-38-46-31-33-48(34-32-46)73-63(83)52(29-23-35-71-67(70)87)74-64(84)56(40(2)3)76-68(88)92-39-51-49-27-21-16-17-22-28-50(49)51/h18-20,25-26,31-34,40-45,49-54,56-61,81H,15,21-24,27-30,35-39H2,1-14H3,(H,72,82)(H,73,83)(H,74,84)(H,75,85)(H,76,88)(H3,70,71,87)/t43-,44+,45+,49-,50+,51-,52-,53-,54?,56-,57-,58-,59-,60+,61+/m0/s1
SMILES Code
[H][C@@]12[C@]([H])([C@H]2COC(N[C@@H](C(C)C)C(N[C@@H](CCCNC(N)=O)C(NC3=CC=C(COC(N(C)[C@@H](C(C)C)C(N[C@@H](C(C)C)C(N([C@H](C(OC)CC(N4CCC[C@H]4[C@H](OC)[C@@H](C)C(N[C@H](C)[C@@H](O)C5=CC=CC=C5)=O)=O)[C@@H](C)CC)C)=O)=O)=O)C=C3)=O)=O)=O)CCC#CCC1
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 1,299.66 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